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113725-81-8 | 4-Cyclohexene-1,2-diacetic acid, monomethyl ester, cis- (9CI)
CAS No: 113725-81-8 Catalog No: AG0009G5 MDL No:
Product Description
Catalog Number:
AG0009G5
Chemical Name:
4-Cyclohexene-1,2-diacetic acid, monomethyl ester, cis- (9CI)
CAS Number:
113725-81-8
Molecular Formula:
C11H15O4-
Molecular Weight:
211.2344
IUPAC Name:
2-[6-(2-methoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
InChI:
InChI=1S/C11H16O4/c1-15-11(14)7-9-5-3-2-4-8(9)6-10(12)13/h2-3,8-9H,4-7H2,1H3,(H,12,13)/p-1
InChI Key:
JPCXBIVQPMASSR-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C[C@H]1CC=CC[C@H]1CC(=O)OC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.097g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.237g/mol
Monoisotopic Mass:
211.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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