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168395-26-4 | 3-Furancarboxylic acid, tetrahydro-, (3S)-
CAS No: 168395-26-4 Catalog No: AG001Y17 MDL No:MFCD07369984
Product Description
Catalog Number:
AG001Y17
Chemical Name:
3-Furancarboxylic acid, tetrahydro-, (3S)-
CAS Number:
168395-26-4
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD07369984
IUPAC Name:
(3S)-oxolane-3-carboxylic acid
InChI:
InChI=1S/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChI Key:
BOTREHHXSQGWTR-BYPYZUCNSA-N
SMILES:
OC(=O)[C@@H]1COCC1
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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