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15777-70-5 | Benzonitrile, 4-hydroxy-3-methyl-
CAS No: 15777-70-5 Catalog No: AG001PPE MDL No:MFCD11848762
Product Description
Catalog Number:
AG001PPE
Chemical Name:
Benzonitrile, 4-hydroxy-3-methyl-
CAS Number:
15777-70-5
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD11848762
IUPAC Name:
4-hydroxy-3-methylbenzonitrile
InChI:
InChI=1S/C8H7NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,10H,1H3
InChI Key:
WTTADDGUHFYGEH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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