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1319-74-0 | Butanetriol
CAS No: 1319-74-0 Catalog No: AG000ZWE MDL No:
Product Description
Catalog Number:
AG000ZWE
Chemical Name:
Butanetriol
CAS Number:
1319-74-0
Molecular Formula:
C4H10O3
Molecular Weight:
106.1204
IUPAC Name:
butane-1,1,1-triol
InChI:
InChI=1S/C4H10O3/c1-2-3-4(5,6)7/h5-7H,2-3H2,1H3
InChI Key:
GTTSNKDQDACYLV-UHFFFAOYSA-N
SMILES:
CCCC(O)(O)O
Properties
Complexity:
45.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
106.121g/mol
Monoisotopic Mass:
106.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Identification of the blue pigment formed in a D-glucose-glycine reaction system. | Bioscience, biotechnology, and biochemistry 20100101 |
| Genotoxicity of 1,3-butadiene and its epoxy intermediates. | Research report (Health Effects Institute) 20090801 |
| Combined determination of Epstein-Barr virus-related antibodies and antigens for diagnosis of nasopharyngeal carcinoma. | Ai zheng = Aizheng = Chinese journal of cancer 20090101 |
| Production of optically active 1,2,4-butanetriol from corresponding racemate by Microbial stereoinversion. | Journal of bioscience and bioengineering 20070501 |
| Measurement of serum total glycerides and free glycerol by high-performance liquid chromatography. | Journal of lipid research 20060901 |
| Microbial synthesis of the energetic material precursor 1,2,4-butanetriol. | Journal of the American Chemical Society 20031029 |
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