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78400-47-2 | Benzene, 1-dodecyl-2-methyl-
CAS No: 78400-47-2 Catalog No: AG005BEE MDL No:
Product Description
Catalog Number:
AG005BEE
Chemical Name:
Benzene, 1-dodecyl-2-methyl-
CAS Number:
78400-47-2
Molecular Formula:
C19H32
Molecular Weight:
260.4574
IUPAC Name:
1-dodecyl-2-methylbenzene
InChI:
InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-11-12-16-19-17-14-13-15-18(19)2/h13-15,17H,3-12,16H2,1-2H3
InChI Key:
PQAHWOUEBKVMQH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccccc1C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.25g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.465g/mol
Monoisotopic Mass:
260.25g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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