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13730-09-1 | Benzonitrile, 2,5-dimethyl-
CAS No: 13730-09-1 Catalog No: AG00132W MDL No:MFCD00001793
Product Description
Catalog Number:
AG00132W
Chemical Name:
Benzonitrile, 2,5-dimethyl-
CAS Number:
13730-09-1
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00001793
IUPAC Name:
2,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3
InChI Key:
OZOQTENKIVKILK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1C
EC Number:
237-297-3
UNII:
7TH0CCO586
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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