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86316-74-7 | Benzene, 1-heptyl-2-methyl-
CAS No: 86316-74-7 Catalog No: AG004MBL MDL No:
Product Description
Catalog Number:
AG004MBL
Chemical Name:
Benzene, 1-heptyl-2-methyl-
CAS Number:
86316-74-7
Molecular Formula:
C14H22
Molecular Weight:
190.3245
IUPAC Name:
1-heptyl-2-methylbenzene
InChI:
InChI=1S/C14H22/c1-3-4-5-6-7-11-14-12-9-8-10-13(14)2/h8-10,12H,3-7,11H2,1-2H3
InChI Key:
YGDQXQVHCOFEEP-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccccc1C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.172g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.33g/mol
Monoisotopic Mass:
190.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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