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70975-43-8 | Benzene, [(1E)-2,3-dimethyl-1-butenyl]-
CAS No: 70975-43-8 Catalog No: AG005F76 MDL No:
Product Description
Catalog Number:
AG005F76
Chemical Name:
Benzene, [(1E)-2,3-dimethyl-1-butenyl]-
CAS Number:
70975-43-8
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
2,3-dimethylbut-1-enylbenzene
InChI:
InChI=1S/C12H16/c1-10(2)11(3)9-12-7-5-4-6-8-12/h4-10H,1-3H3
InChI Key:
SWZXRRSYEPARQZ-UHFFFAOYSA-N
SMILES:
CC(/C(=C/c1ccccc1)/C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.125g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.26g/mol
Monoisotopic Mass:
160.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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