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14374-92-6 | Benzene, 1-methyl-4-(1-methylethyl)-2-(1-propen-1-yl)-
CAS No: 14374-92-6 Catalog No: AG001IBO MDL No:
Product Description
Catalog Number:
AG001IBO
Chemical Name:
Benzene, 1-methyl-4-(1-methylethyl)-2-(1-propen-1-yl)-
CAS Number:
14374-92-6
Molecular Formula:
C13H18
Molecular Weight:
174.2820
IUPAC Name:
1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
InChI:
InChI=1S/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3
InChI Key:
IRICXAFZMINCTB-UHFFFAOYSA-N
SMILES:
CC=Cc1cc(ccc1C)C(C)C
EC Number:
238-347-7
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.287g/mol
Monoisotopic Mass:
174.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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