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84004-90-0 | 1,4-Cyclohexadiene, 3-butyl-3-methyl-6-methylene-
CAS No: 84004-90-0 Catalog No: AG0051RX MDL No:
Product Description
Catalog Number:
AG0051RX
Chemical Name:
1,4-Cyclohexadiene, 3-butyl-3-methyl-6-methylene-
CAS Number:
84004-90-0
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
3-butyl-3-methyl-6-methylidenecyclohexa-1,4-diene
InChI:
InChI=1S/C12H18/c1-4-5-8-12(3)9-6-11(2)7-10-12/h6-7,9-10H,2,4-5,8H2,1,3H3
InChI Key:
XWUAIUAHGSMQNO-UHFFFAOYSA-N
SMILES:
CCCCC1(C)C=CC(=C)C=C1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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