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190393-85-2 | 4-Cycloheptene-1,4-dicarboxylic acid, 6-methyl-, 4-methyl ester, (1R,6R)-rel-
CAS No: 190393-85-2 Catalog No: AG002EIO MDL No:
Product Description
Catalog Number:
AG002EIO
Chemical Name:
4-Cycloheptene-1,4-dicarboxylic acid, 6-methyl-, 4-methyl ester, (1R,6R)-rel-
CAS Number:
190393-85-2
Molecular Formula:
C11H15O4-
Molecular Weight:
211.2344
IUPAC Name:
(1R,3R)-5-methoxycarbonyl-3-methylcyclohept-4-ene-1-carboxylate
InChI:
InChI=1S/C11H16O4/c1-7-5-8(10(12)13)3-4-9(6-7)11(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13)/p-1/t7-,8-/m1/s1
InChI Key:
GMJYZQWULGTFFZ-HTQZYQBOSA-M
SMILES:
[O-]C(=O)[C@@H]1CCC(=C[C@@H](C1)C)C(=O)OC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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