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2315-21-1 | Cyclopentanecarboxylic acid, 2-hydroxy-, ethyl ester, (1R,2S)-rel-
CAS No: 2315-21-1 Catalog No: AG002MDM MDL No:MFCD00467698
Product Description
Catalog Number:
AG002MDM
Chemical Name:
Cyclopentanecarboxylic acid, 2-hydroxy-, ethyl ester, (1R,2S)-rel-
CAS Number:
2315-21-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00467698
IUPAC Name:
ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate
InChI:
InChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChI Key:
IIFIGGNBUOZGAB-RQJHMYQMSA-N
SMILES:
CCOC(=O)[C@@H]1CCC[C@@H]1O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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