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1518-62-3 | 2,4-Dihydroxybutanoic acid
CAS No: 1518-62-3 Catalog No: AG0032ZK MDL No:
Product Description
Catalog Number:
AG0032ZK
Chemical Name:
2,4-Dihydroxybutanoic acid
CAS Number:
1518-62-3
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
IUPAC Name:
2,4-dihydroxybutanoic acid
InChI:
InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
InChI Key:
UFYGCFHQAXXBCF-UHFFFAOYSA-N
SMILES:
OCCC(C(=O)O)O
Properties
Complexity:
80.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.042g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
120.104g/mol
Monoisotopic Mass:
120.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Metabolome in progression to Alzheimer's disease. | Translational psychiatry 20111201 |
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