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180149-38-6 | Benzeneacetonitrile, 4-amino-3-methyl-
CAS No: 180149-38-6 Catalog No: AG0021QO MDL No:MFCD18389882
Product Description
Catalog Number:
AG0021QO
Chemical Name:
Benzeneacetonitrile, 4-amino-3-methyl-
CAS Number:
180149-38-6
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD18389882
IUPAC Name:
2-(4-amino-3-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H10N2/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,6H,4,11H2,1H3
InChI Key:
ACZFZZFUGILAFM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C)N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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