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1595-09-1 | Benzene, 1-methyl-4-pentyl-
CAS No: 1595-09-1 Catalog No: AG001R4R MDL No:
Product Description
Catalog Number:
AG001R4R
Chemical Name:
Benzene, 1-methyl-4-pentyl-
CAS Number:
1595-09-1
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
1-methyl-4-pentylbenzene
InChI:
InChI=1S/C12H18/c1-3-4-5-6-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3
InChI Key:
LGKMWHPZOZYYTQ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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