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CAS 100683-08-7 1-METHOXYCYCLOPROPANE-1-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 100683-08-7

1-METHOXYCYCLOPROPANE-1-CARBOXYLIC ACID

  • Product code: SSC-001349
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 100683-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

100683-08-7 / 1-methoxycyclopropane-1-carboxylic acid

1-Methoxycyclopropane-1-carboxylic acid | DTXSID40626066 | RefChem:231374

Standard CAS: 100683-08-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100683-08-7
Multi CAS
No
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
SMILES
COC1(CC1)C(=O)O
InChI
InChI=1S/C5H8O3/c1-8-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
HPOWDCXQUZLJRQ-UHFFFAOYSA-N
Synonyms
1-Methoxycyclopropane-1-carboxylic acid DTXSID40626066 RefChem:231374 DTXCID80576819 852-719-1

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.61
TPSA
46.53

LogP / Solubility

WLOGP
0.25
MLOGP
0.21
Consensus LogP
0.15
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.25

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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