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85392-43-4 | 3-[2-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)ETHYLIDENE]PENTANE-2,4-DIONE
CAS No: 85392-43-4 Catalog No: AG004OFW MDL No:
Product Description
Catalog Number:
AG004OFW
Chemical Name:
3-[2-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)ETHYLIDENE]PENTANE-2,4-DIONE
CAS Number:
85392-43-4
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentane-2,4-dione
InChI:
InChI=1S/C15H22O2/c1-10-6-7-13(15(10,4)5)8-9-14(11(2)16)12(3)17/h6,9,13H,7-8H2,1-5H3
InChI Key:
OKUGEEUWTIUDSY-UHFFFAOYSA-N
SMILES:
CC(=O)C(=CCC1CC=C(C1(C)C)C)C(=O)C
EC Number:
286-902-7
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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