200,000+ products from a single source!
sales@angenechem.com
13991-44-1 | 1,2-Cyclohexanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1R,2R)-rel-
CAS No: 13991-44-1 Catalog No: AG001BSU MDL No:MFCD20926192
Product Description
Catalog Number:
AG001BSU
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1R,2R)-rel-
CAS Number:
13991-44-1
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
MDL Number:
MFCD20926192
IUPAC Name:
dimethyl (1R,2R)-4-oxocyclohexane-1,2-dicarboxylate
InChI:
InChI=1S/C10H14O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h7-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChI Key:
HUKIJZIDGFUNMG-HTQZYQBOSA-N
SMILES:
COC(=O)[C@@H]1CC(=O)CC[C@H]1C(=O)OC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.217g/mol
Monoisotopic Mass:
214.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.