200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 119715-46-7
119715-46-7 | 2-Butanone, 1,3,4-trihydroxy-3-methyl-
CAS No: 119715-46-7 Catalog No: AG000PI7 MDL No:
Product Description
Catalog Number:
AG000PI7
Chemical Name:
2-Butanone, 1,3,4-trihydroxy-3-methyl-
CAS Number:
119715-46-7
Molecular Formula:
C5H10O4
Molecular Weight:
134.1305
IUPAC Name:
1,3,4-trihydroxy-3-methylbutan-2-one
InChI:
InChI=1S/C5H10O4/c1-5(9,3-7)4(8)2-6/h6-7,9H,2-3H2,1H3
InChI Key:
LCGBCDAYKOJPSO-UHFFFAOYSA-N
SMILES:
OCC(=O)C(CO)(O)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.