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149429-49-2 | 3,4-Furandicarboxylic acid, tetrahydro-, cis- (9CI)
CAS No: 149429-49-2 Catalog No: AG001LOJ MDL No:MFCD18829015
Product Description
Catalog Number:
AG001LOJ
Chemical Name:
3,4-Furandicarboxylic acid, tetrahydro-, cis- (9CI)
CAS Number:
149429-49-2
Molecular Formula:
C6H8O5
Molecular Weight:
160.1247
MDL Number:
MFCD18829015
IUPAC Name:
(3S,4R)-oxolane-3,4-dicarboxylic acid
InChI:
InChI=1S/C6H8O5/c7-5(8)3-1-11-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
InChI Key:
QUHAOMPZQHGTKN-ZXZARUISSA-N
SMILES:
OC(=O)[C@@H]1COC[C@@H]1C(=O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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