Home Other Building Blocks 2-[2-(cyanomethyl)phenyl]acetic acid

2-[2-(cyanomethyl)phenyl]acetic acid

CAS No.:
56066-94-5
Catalog Number:
AG01A4TX
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01A4TX
Chemical Name:
2-[2-(cyanomethyl)phenyl]acetic acid
CAS Number:
56066-94-5
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD20641256
IUPAC Name:
2-[2-(cyanomethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H9NO2/c11-6-5-8-3-1-2-4-9(8)7-10(12)13/h1-4H,5,7H2,(H,12,13)
InChI Key:
UKCCBEOBXVCQOH-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1CC(=O)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties