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102569-26-6 | Benzonitrile, 2-amino-4-hydroxy-3-methyl-
CAS No: 102569-26-6 Catalog No: AG0007R1 MDL No:MFCD02179869
Product Description
Catalog Number:
AG0007R1
Chemical Name:
Benzonitrile, 2-amino-4-hydroxy-3-methyl-
CAS Number:
102569-26-6
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD02179869
IUPAC Name:
2-amino-4-hydroxy-3-methylbenzonitrile
InChI:
InChI=1S/C8H8N2O/c1-5-7(11)3-2-6(4-9)8(5)10/h2-3,11H,10H2,1H3
InChI Key:
NTRYGFSYGXKOSE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1N)C)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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