Butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)-


Chemical Name: Butanoic acid, 3,4-dihydroxy-, methyl ester, (3S)-
CAS Number: 90414-36-1
Product Number: AG003RJA(AGN-PC-0OMBRL)
Synonyms:
MDL No: MFCD12912145
Molecular Formula: C5H10O4
Molecular Weight: 134.1305

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
134.131g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
134.058g/mol
Monoisotopic Mass:
134.058g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
91
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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