Home Nitriles 4-(2-hydroxypropanoyl)benzonitrile

4-(2-hydroxypropanoyl)benzonitrile

CAS No.:
1266343-99-0
Catalog Number:
AG01B7WZ
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01B7WZ
Chemical Name:
4-(2-hydroxypropanoyl)benzonitrile
CAS Number:
1266343-99-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD24697625
IUPAC Name:
4-(2-hydroxypropanoyl)benzonitrile
InChI:
InChI=1S/C10H9NO2/c1-7(12)10(13)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3
InChI Key:
YKZKRIPEEDZFCV-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccc(cc1)C#N)O
Properties
Complexity:
233  
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:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties