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15971-76-3 | Ethanone, 1-(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)-
CAS No: 15971-76-3 Catalog No: AG001RD4 MDL No:
Product Description
Catalog Number:
AG001RD4
Chemical Name:
Ethanone, 1-(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)-
CAS Number:
15971-76-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanone
InChI:
InChI=1S/C12H18O/c1-7-8(2)10(4)12(6,9(7)3)11(5)13/h1-6H3
InChI Key:
UUCAJBKZEZWITI-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(C(=C1C)C)(C)C(=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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