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60710-80-7 | 3-Amino-4-methylbenzonitrile
CAS No: 60710-80-7 Catalog No: AG003IVV MDL No:MFCD04039781
Product Description
Catalog Number:
AG003IVV
Chemical Name:
3-Amino-4-methylbenzonitrile
CAS Number:
60710-80-7
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD04039781
IUPAC Name:
3-amino-4-methylbenzonitrile
InChI:
InChI=1S/C8H8N2/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,10H2,1H3
InChI Key:
IEWMNQUBZPVSSV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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