Home Other Building Blocks 2-(3-CYANOCYCLOHEXYL)ACETIC ACID

2-(3-CYANOCYCLOHEXYL)ACETIC ACID

CAS No.:
1368387-53-4
Catalog Number:
AG01DYPA
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DYPA
Chemical Name:
2-(3-CYANOCYCLOHEXYL)ACETIC ACID
CAS Number:
1368387-53-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD22067969
IUPAC Name:
2-(3-cyanocyclohexyl)acetic acid
InChI:
InChI=1S/C9H13NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h7-8H,1-5H2,(H,11,12)
InChI Key:
ZUHZXCWLAYQRPX-UHFFFAOYSA-N
SMILES:
N#CC1CCCC(C1)CC(=O)O
Properties
Complexity:
216  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties