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834886-10-1 | Cyclopentanecarboxylic acid, 2-cyano-2-hydroxy-, ethyl ester, (1S,2R)-
CAS No: 834886-10-1 Catalog No: AG0050NO MDL No:
Product Description
Catalog Number:
AG0050NO
Chemical Name:
Cyclopentanecarboxylic acid, 2-cyano-2-hydroxy-, ethyl ester, (1S,2R)-
CAS Number:
834886-10-1
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
ethyl (1S,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-2-13-8(11)7-4-3-5-9(7,12)6-10/h7,12H,2-5H2,1H3/t7-,9+/m1/s1
InChI Key:
MSKSALIWFAFBFO-APPZFPTMSA-N
SMILES:
CCOC(=O)[C@H]1CCC[C@]1(O)C#N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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