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92605-75-9 | 2-Butanone, 1,3,4-trihydroxy-3-(hydroxymethyl)-
CAS No: 92605-75-9 Catalog No: AG006G2B MDL No:
Product Description
Catalog Number:
AG006G2B
Chemical Name:
2-Butanone, 1,3,4-trihydroxy-3-(hydroxymethyl)-
CAS Number:
92605-75-9
Molecular Formula:
C5H10O5
Molecular Weight:
150.1299
IUPAC Name:
1,3,4-trihydroxy-3-(hydroxymethyl)butan-2-one
InChI:
InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h6-8,10H,1-3H2
InChI Key:
KNWXMEXZFWGIPP-UHFFFAOYSA-N
SMILES:
OCC(=O)C(CO)(CO)O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
150.13g/mol
Monoisotopic Mass:
150.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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