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824985-33-3 | (4S,5S)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLIC ACID 4-ETHYL ESTER
CAS No: 824985-33-3 Catalog No: AG004UJ0 MDL No:
Product Description
Catalog Number:
AG004UJ0
Chemical Name:
(4S,5S)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLIC ACID 4-ETHYL ESTER
CAS Number:
824985-33-3
Molecular Formula:
C9H14O6
Molecular Weight:
218.2039
IUPAC Name:
(4S,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
InChI:
InChI=1S/C9H14O6/c1-4-13-8(12)6-5(7(10)11)14-9(2,3)15-6/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChI Key:
CKZCYKLWSCUMOQ-WDSKDSINSA-N
SMILES:
CCOC(=O)[C@H]1OC(O[C@@H]1C(=O)O)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.205g/mol
Monoisotopic Mass:
218.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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