Home Other Building Blocks 2-(1-Cyanocyclohexyl)acetic acid

2-(1-Cyanocyclohexyl)acetic acid

CAS No.:
133481-09-1
Catalog Number:
AG0037V8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG0037V8
Chemical Name:
2-(1-Cyanocyclohexyl)acetic acid
CAS Number:
133481-09-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
2-(1-cyanocyclohexyl)acetic acid
InChI:
InChI=1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12)
InChI Key:
YGFXLCAKCKPSQQ-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)CC(=O)O
EC Number:
926-930-5
UNII:
E1393FZ76L
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:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties