Home Nitriles Benzeneacetonitrile, 4-(hydroxymethyl)-

Benzeneacetonitrile, 4-(hydroxymethyl)-

CAS No.:
144825-18-3
Catalog Number:
AG001K7U
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG001K7U
Chemical Name:
Benzeneacetonitrile, 4-(hydroxymethyl)-
CAS Number:
144825-18-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD12911541
IUPAC Name:
2-[4-(hydroxymethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H9NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5,7H2
InChI Key:
VLWFTSRLCNJFAE-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)CC#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties