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122445-12-9 | Benzene, 1-methyl-4-(3-methylpentyl)-
CAS No: 122445-12-9 Catalog No: AG00178P MDL No:
Product Description
Catalog Number:
AG00178P
Chemical Name:
Benzene, 1-methyl-4-(3-methylpentyl)-
CAS Number:
122445-12-9
Molecular Formula:
C13H20
Molecular Weight:
176.2979
IUPAC Name:
1-methyl-4-(3-methylpentyl)benzene
InChI:
InChI=1S/C13H20/c1-4-11(2)5-8-13-9-6-12(3)7-10-13/h6-7,9-11H,4-5,8H2,1-3H3
InChI Key:
BZUQIUSXDVLWQE-UHFFFAOYSA-N
SMILES:
CCC(CCc1ccc(cc1)C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.303g/mol
Monoisotopic Mass:
176.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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