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CAS 142-45-0 Acetylenedicarboxylic Acid molecular structure lightbox
CAS RN: 142-45-0

Acetylenedicarboxylic Acid

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260321 100g Out of stock Inquiry
Batchno.20260627 25g In stock Inquiry
Batchno.20251024 5g In stock Inquiry
  • Product code: SSC-052678
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 142-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

142-45-0 / but-2-ynedioic acid

Standard CAS: 142-45-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
142-45-0
Multi CAS
No
Molecular Formula
C4H2O4
Molecular Weight
114.060000
Exact Mass
113.995309
SMILES
C(#CC(=O)O)C(=O)O
InChI
InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChIKey
YTIVTFGABIZHHX-UHFFFAOYSA-N

Physical Properties

Physical Description
Beige crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.05
TPSA
74.6

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.75
XLogP3
0.1
Consensus LogP
-0.5
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (95.8%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (10.4%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501

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