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137568-30-0

137568-30-0 | 1,3-Dioxolane-4,5-dicarboxylic acid, dimethyl ester, (4S-trans)- (9CI)

CAS No: 137568-30-0 Catalog No: AG0013KH MDL No:

Product Description

Catalog Number:
AG0013KH
Chemical Name:
1,3-Dioxolane-4,5-dicarboxylic acid, dimethyl ester, (4S-trans)- (9CI)
CAS Number:
137568-30-0
Molecular Formula:
C7H10O6
Molecular Weight:
190.1507
IUPAC Name:
dimethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
InChI:
InChI=1S/C7H10O6/c1-10-6(8)4-5(7(9)11-2)13-3-12-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChI Key:
WXDCPMZAHPHZPC-WHFBIAKZSA-N
SMILES:
COC(=O)[C@H]1OCO[C@@H]1C(=O)OC

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
190.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.151g/mol
Monoisotopic Mass:
190.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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