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CAS 114012-41-8 3-OXETANECARBOXYLIC ACID molecular structure lightbox
CAS RN: 114012-41-8

3-OXETANECARBOXYLIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 100mg In stock Shanghai Inquiry
Batchno.20250530 1g In stock Shanghai Inquiry
Batchno.20260324 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251007 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-013919
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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
  • 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 114012-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

114012-41-8 / oxetane-3-carboxylic acid

oxetane-3-carboxylic acid | DTXSID80600567 | RefChem:367372

Standard CAS: 114012-41-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114012-41-8
Multi CAS
No
Molecular Formula
C4H6O3
Molecular Weight
102.090000
Exact Mass
102.031694
SMILES
C1C(CO1)C(=O)O
InChI
InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChIKey
UWOTZNQZPLAURK-UHFFFAOYSA-N
Synonyms
oxetane-3-carboxylic acid DTXSID80600567 RefChem:367372 DTXCID00551325 806-037-6

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
21.94
TPSA
46.53

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.26
XLogP3
-0.6
Consensus LogP
-0.38
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.54

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (93%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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