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1595-04-6 | Benzene, 1-butyl-3-methyl-
CAS No: 1595-04-6 Catalog No: AG001R4U MDL No:MFCD22482826
Product Description
Catalog Number:
AG001R4U
Chemical Name:
Benzene, 1-butyl-3-methyl-
CAS Number:
1595-04-6
Molecular Formula:
C11H16
Molecular Weight:
148.2447
MDL Number:
MFCD22482826
IUPAC Name:
1-butyl-3-methylbenzene
InChI:
InChI=1S/C11H16/c1-3-4-7-11-8-5-6-10(2)9-11/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
OAPCPUDMDJIBOQ-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)C
Properties
Complexity:
96.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.125g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.249g/mol
Monoisotopic Mass:
148.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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