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114300-65-1 | 2-Cyclohexen-1-one, 4-(1,3-dioxolan-2-yl)-4-methyl-
CAS No: 114300-65-1 Catalog No: AG000B1R MDL No:
Product Description
Catalog Number:
AG000B1R
Chemical Name:
2-Cyclohexen-1-one, 4-(1,3-dioxolan-2-yl)-4-methyl-
CAS Number:
114300-65-1
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H14O3/c1-10(9-12-6-7-13-9)4-2-8(11)3-5-10/h2,4,9H,3,5-7H2,1H3
InChI Key:
YPCZTBSSWFAEMB-UHFFFAOYSA-N
SMILES:
O=C1CCC(C=C1)(C)C1OCCO1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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