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833-28-3 | ETHYL 2-ACETYLOXYCYCLOHEX-3-ENE-1-CARBOXYLATE
CAS No: 833-28-3 Catalog No: AG0055T8 MDL No:
Product Description
Catalog Number:
AG0055T8
Chemical Name:
ETHYL 2-ACETYLOXYCYCLOHEX-3-ENE-1-CARBOXYLATE
CAS Number:
833-28-3
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
ethyl 2-acetyloxycyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C11H16O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h5,7,9-10H,3-4,6H2,1-2H3
InChI Key:
VIBBYUMPHNNBGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC=CC1OC(=O)C
NSC Number:
254062
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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