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89016-62-6 | 2-Cyclohexen-1-one, 4-(diethoxymethyl)-2-methyl-5-(1-methylethenyl)-
CAS No: 89016-62-6 Catalog No: AG004388 MDL No:
Product Description
Catalog Number:
AG004388
Chemical Name:
2-Cyclohexen-1-one, 4-(diethoxymethyl)-2-methyl-5-(1-methylethenyl)-
CAS Number:
89016-62-6
Molecular Formula:
C15H24O3
Molecular Weight:
252.3493
IUPAC Name:
4-(diethoxymethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C15H24O3/c1-6-17-15(18-7-2)13-8-11(5)14(16)9-12(13)10(3)4/h8,12-13,15H,3,6-7,9H2,1-2,4-5H3
InChI Key:
VWRQMCSSPUCVTH-UHFFFAOYSA-N
SMILES:
CCOC(C1C=C(C)C(=O)CC1C(=C)C)OCC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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