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76286-81-2 | 3-Cyclohexene-1,2-dicarboxylic acid, 6-ethenyl-, dimethyl ester
CAS No: 76286-81-2 Catalog No: AG005EIM MDL No:
Product Description
Catalog Number:
AG005EIM
Chemical Name:
3-Cyclohexene-1,2-dicarboxylic acid, 6-ethenyl-, dimethyl ester
CAS Number:
76286-81-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
dimethyl 6-ethenylcyclohex-3-ene-1,2-dicarboxylate
InChI:
InChI=1S/C12H16O4/c1-4-8-6-5-7-9(11(13)15-2)10(8)12(14)16-3/h4-5,7-10H,1,6H2,2-3H3
InChI Key:
MKBTWMANKGSJBH-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(C=C)CC=CC1C(=O)OC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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