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10270-29-8 | Benzonitrile, 4-pentyl-
CAS No: 10270-29-8 Catalog No: AG00086A MDL No:MFCD00218832
Product Description
Catalog Number:
AG00086A
Chemical Name:
Benzonitrile, 4-pentyl-
CAS Number:
10270-29-8
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD00218832
IUPAC Name:
4-pentylbenzonitrile
InChI:
InChI=1S/C12H15N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5H2,1H3
InChI Key:
LGPQFJXPPKNHJU-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#N
NSC Number:
100672
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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