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39101-54-7 | 2-(3,5-Dimethylphenyl);acetonitrile
CAS No: 39101-54-7 Catalog No: AG003IP5 MDL No:MFCD00060304
Product Description
Catalog Number:
AG003IP5
Chemical Name:
2-(3,5-Dimethylphenyl);acetonitrile
CAS Number:
39101-54-7
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00060304
IUPAC Name:
2-(3,5-dimethylphenyl)acetonitrile
InChI:
InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3
InChI Key:
LMUKNQSVBFEUKR-UHFFFAOYSA-N
SMILES:
N#CCc1cc(C)cc(c1)C
EC Number:
254-292-1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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