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175696-72-7 | Benzeneacetonitrile, 3-(dimethylamino)-
CAS No: 175696-72-7 Catalog No: AG00213Q MDL No:MFCD09923715
Product Description
Catalog Number:
AG00213Q
Chemical Name:
Benzeneacetonitrile, 3-(dimethylamino)-
CAS Number:
175696-72-7
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD09923715
IUPAC Name:
2-[3-(dimethylamino)phenyl]acetonitrile
InChI:
InChI=1S/C10H12N2/c1-12(2)10-5-3-4-9(8-10)6-7-11/h3-5,8H,6H2,1-2H3
InChI Key:
AUKPKUCUMZOTHB-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)N(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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