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2044-00-0 | threo-Hexaric acid, 2,5-anhydro-3,4-dideoxy-
CAS No: 2044-00-0 Catalog No: AG0029HP MDL No:
Product Description
Catalog Number:
AG0029HP
Chemical Name:
threo-Hexaric acid, 2,5-anhydro-3,4-dideoxy-
CAS Number:
2044-00-0
Molecular Formula:
C6H8O5
Molecular Weight:
160.1247
IUPAC Name:
(5S)-oxolane-2,5-dicarboxylic acid
InChI:
InChI=1S/C6H8O5/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4?/m0/s1
InChI Key:
CWZQRDJXBMLSTF-WUCPZUCCSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](O1)C(=O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.125g/mol
Monoisotopic Mass:
160.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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