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159454-98-5 | Acetic acid, 2-(4-oxocyclohexylidene)-, ethyl ester
CAS No: 159454-98-5 Catalog No: AG001QP8 MDL No:
Product Description
Catalog Number:
AG001QP8
Chemical Name:
Acetic acid, 2-(4-oxocyclohexylidene)-, ethyl ester
CAS Number:
159454-98-5
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
ethyl 2-(4-oxocyclohexylidene)acetate
InChI:
InChI=1S/C10H14O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h7H,2-6H2,1H3
InChI Key:
TXDKLGJGEMQOIC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CCC(=O)CC1
Properties
Complexity:
229
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:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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