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88959-20-0 | 3-Penten-2-one, 3-methyl-5-(2,4,4-trimethylcyclopentylidene)-
CAS No: 88959-20-0 Catalog No: AG0046QM MDL No:
Product Description
Catalog Number:
AG0046QM
Chemical Name:
3-Penten-2-one, 3-methyl-5-(2,4,4-trimethylcyclopentylidene)-
CAS Number:
88959-20-0
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
3-methyl-5-(2,4,4-trimethylcyclopentylidene)pent-3-en-2-one
InChI:
InChI=1S/C14H22O/c1-10(12(3)15)6-7-13-9-14(4,5)8-11(13)2/h6-7,11H,8-9H2,1-5H3
InChI Key:
RXGFAMBPWIVTLH-UHFFFAOYSA-N
SMILES:
CC(=O)C(=CC=C1CC(CC1C)(C)C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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