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137936-52-8 | 1,3-Cyclopentadiene, 5-(1,4-dimethyl-4-penten-1-ylidene)-
CAS No: 137936-52-8 Catalog No: AG0017ON MDL No:
Product Description
Catalog Number:
AG0017ON
Chemical Name:
1,3-Cyclopentadiene, 5-(1,4-dimethyl-4-penten-1-ylidene)-
CAS Number:
137936-52-8
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
5-(5-methylhex-5-en-2-ylidene)cyclopenta-1,3-diene
InChI:
InChI=1S/C12H16/c1-10(2)8-9-11(3)12-6-4-5-7-12/h4-7H,1,8-9H2,2-3H3
InChI Key:
PSEZFUPFGPSEAX-UHFFFAOYSA-N
SMILES:
CC(=C1C=CC=C1)CCC(=C)C
Properties
Complexity:
248
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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