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127604-16-4 | Butanoic acid, 3-hydroxy-, sodium salt (1:1), (3S)-
CAS No: 127604-16-4 Catalog No: AG000X7H MDL No:MFCD00064274
Product Description
Catalog Number:
AG000X7H
Chemical Name:
Butanoic acid, 3-hydroxy-, sodium salt (1:1), (3S)-
CAS Number:
127604-16-4
Molecular Formula:
C4H7NaO3
Molecular Weight:
126.0864
MDL Number:
MFCD00064274
IUPAC Name:
sodium;(3S)-3-hydroxybutanoate
InChI:
InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1/t3-;/m0./s1
InChI Key:
NBPUSGBJDWCHKC-DFWYDOINSA-M
SMILES:
[O-]C(=O)C[C@@H](O)C.[Na+]
Properties
Complexity:
73.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
126.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.087g/mol
Monoisotopic Mass:
126.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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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