Home Nitriles Benzenepropanenitrile, a-(hydroxymethyl)-

Benzenepropanenitrile, a-(hydroxymethyl)-

CAS No.:
2601-10-7
Catalog Number:
AG00I4YF
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG00I4YF
Chemical Name:
Benzenepropanenitrile, a-(hydroxymethyl)-
CAS Number:
2601-10-7
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD18294353
IUPAC Name:
2-benzyl-3-hydroxypropanenitrile
InChI:
InChI=1S/C10H11NO/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10,12H,6,8H2
InChI Key:
SHUVNTUSGZCKAQ-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccccc1)C#N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties