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175698-01-8 | Cyclopentanecarboxylic acid, 1-(cyanomethyl)-, methyl ester
CAS No: 175698-01-8 Catalog No: AG00214K MDL No:
Product Description
Catalog Number:
AG00214K
Chemical Name:
Cyclopentanecarboxylic acid, 1-(cyanomethyl)-, methyl ester
CAS Number:
175698-01-8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
methyl 1-(cyanomethyl)cyclopentane-1-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-12-8(11)9(6-7-10)4-2-3-5-9/h2-6H2,1H3
InChI Key:
OOWCMCNYCXMDNE-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCC1)CC#N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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