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102569-27-7 | Benzonitrile, 2-amino-3-ethyl-4-hydroxy-
CAS No: 102569-27-7 Catalog No: AG0007R0 MDL No:
Product Description
Catalog Number:
AG0007R0
Chemical Name:
Benzonitrile, 2-amino-3-ethyl-4-hydroxy-
CAS Number:
102569-27-7
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
2-amino-3-ethyl-4-hydroxybenzonitrile
InChI:
InChI=1S/C9H10N2O/c1-2-7-8(12)4-3-6(5-10)9(7)11/h3-4,12H,2,11H2,1H3
InChI Key:
KVLHEPUUHJWMRV-UHFFFAOYSA-N
SMILES:
CCc1c(O)ccc(c1N)C#N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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