Ethyl 3-Hydroxycyclopentanecarboxylate - CAS 1187933-07-8
Catalog: |
BB004285 |
Product Name: |
Ethyl 3-Hydroxycyclopentanecarboxylate |
CAS: |
1187933-07-8 |
Synonyms: |
3-hydroxy-1-cyclopentanecarboxylic acid ethyl ester; ethyl 3-hydroxycyclopentane-1-carboxylate |
IUPAC Name: | ethyl 3-hydroxycyclopentane-1-carboxylate |
Description: | Ethyl 3-Hydroxycyclopentanecarboxylate (CAS# 1187933-07-8) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CCOC(=O)C1CCC(C1)O |
InChI: | InChI=1S/C8H14O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6-7,9H,2-5H2,1H3 |
InChI Key: | PEOQPQHZHDFVIL-UHFFFAOYSA-N |
LogP: | 0.71050 |
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 |
WO-2020060915-A1 | Cyclopentyl acids as lpa antagonists | 20180918 |
CN-113473985-A | Cyclopentanoic acid as LPA antagonist | 20180918 |
EP-3852746-A1 | Cyclopentyl acids as lpa antagonists | 20180918 |
KR-20210061383-A | Cyclopentyl acid as an LPA antagonist | 20180918 |
US-10617692-B2 | Pyrrolopyrimidine comprising cyclopentyl substituent | 20160616 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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