Methyl cis-3-(Hydroxymethyl)cyclopentanecarboxylate - CAS 58240-93-0
Catalog: |
BB029984 |
Product Name: |
Methyl cis-3-(Hydroxymethyl)cyclopentanecarboxylate |
CAS: |
58240-93-0 |
Synonyms: |
(1R,3S)-3-(hydroxymethyl)-1-cyclopentanecarboxylic acid methyl ester; methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate |
IUPAC Name: | methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate |
Description: | Methyl cis-3-(Hydroxymethyl)cyclopentanecarboxylate (CAS# 58240-93-0) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | COC(=O)C1CCC(C1)CO |
InChI: | InChI=1S/C8H14O3/c1-11-8(10)7-3-2-6(4-7)5-9/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1 |
InChI Key: | QFZTZFHLMOJRBN-NKWVEPMBSA-N |
Boiling Point: | 230 °C at 760 mmHg |
Density: | 1.091 g/cm3 |
MDL: | MFCD06799098 |
LogP: | 0.56800 |
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 |
EP-3137460-B1 | Cycloalkyl-linked diheterocycle derivatives | 20140430 |
EP-3556757-A1 | Cycloalkyl-linked diheterocycle derivatives | 20140430 |
US-10125130-B2 | Cycloalkyl-linked diheterocycle derivatives | 20140430 |
US-10676471-B2 | Cycloalkyl-linked diheterocycle derivatives | 20140430 |
US-2017050958-A1 | Cycloalkyl-Linked Diheterocycle Derivatives | 20140430 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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