200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88407-21-0
88407-21-0 | Pentanoic acid, 3-hydroxy-5-mercapto-3-methyl-
CAS No: 88407-21-0 Catalog No: AG004I00 MDL No:
Product Description
Catalog Number:
AG004I00
Chemical Name:
Pentanoic acid, 3-hydroxy-5-mercapto-3-methyl-
CAS Number:
88407-21-0
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
IUPAC Name:
3-hydroxy-3-methyl-5-sulfanylpentanoic acid
InChI:
InChI=1S/C6H12O3S/c1-6(9,2-3-10)4-5(7)8/h9-10H,2-4H2,1H3,(H,7,8)
InChI Key:
MCHPXVGJHBKMNR-UHFFFAOYSA-N
SMILES:
SCCC(CC(=O)O)(O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.051g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.219g/mol
Monoisotopic Mass:
164.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.