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6168-83-8 | (S)-3-Hydroxybutanoic acid
CAS No: 6168-83-8 Catalog No: AG003A72 MDL No:MFCD00137685
Product Description
Catalog Number:
AG003A72
Chemical Name:
(S)-3-Hydroxybutanoic acid
CAS Number:
6168-83-8
Molecular Formula:
C4H8O3
Molecular Weight:
104.1045
MDL Number:
MFCD00137685
IUPAC Name:
(3S)-3-hydroxybutanoic acid
InChI:
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key:
WHBMMWSBFZVSSR-VKHMYHEASA-N
SMILES:
C[C@@H](CC(=O)O)O
EC Number:
228-209-4
UNII:
VK6OM9M3WP
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
104.047g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
104.105g/mol
Monoisotopic Mass:
104.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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