cis-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid - CAS 96382-85-3
Catalog: |
BB041966 |
Product Name: |
cis-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid |
CAS: |
96382-85-3 |
Synonyms: |
(1R,3S)-3-methoxycarbonyl-1-cyclopentanecarboxylic acid; (1R,3S)-3-methoxycarbonylcyclopentane-1-carboxylic acid |
IUPAC Name: | (1R,3S)-3-methoxycarbonylcyclopentane-1-carboxylic acid |
Description: | cis-3-(methoxycarbonyl)cyclopentane-1-carboxylic acid (CAS# 96382-85-3) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | COC(=O)C1CCC(C1)C(=O)O |
InChI: | InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 |
InChI Key: | FVUHGTQDOMGZOT-RITPCOANSA-N |
Boiling Point: | 286.4 °C at 760 mmHg |
Density: | 1.242 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 0.66030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020131154-A1 | Pyrazolyl compounds and methods of use thereof | 20181026 |
WO-2020087024-A1 | Pyrazolyl compounds and methods of use thereof | 20181026 |
CN-113226321-A | Pyrazolyl compounds and methods of use thereof | 20181026 |
EP-3870177-A1 | Pyrazolyl compounds and methods of use thereof | 20181026 |
US-11053221-B2 | Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity | 20181026 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Related Functional Groups
Cyclopentane
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