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7086-15-9 | 1,3-Cyclopentadiene, 2,5,5-trimethyl-
CAS No: 7086-15-9 Catalog No: AG005FTL MDL No:
Product Description
Catalog Number:
AG005FTL
Chemical Name:
1,3-Cyclopentadiene, 2,5,5-trimethyl-
CAS Number:
7086-15-9
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
2,5,5-trimethylcyclopenta-1,3-diene
InChI:
InChI=1S/C8H12/c1-7-4-5-8(2,3)6-7/h4-6H,1-3H3
InChI Key:
DZMHYWDDJSETHE-UHFFFAOYSA-N
SMILES:
CC1=CC(C=C1)(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:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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