200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137446-83-4
137446-83-4 | Benzoic acid, 2-[(3-ethoxy-3-oxopropyl)thio]-
CAS No: 137446-83-4 Catalog No: AG00139Z MDL No:
Product Description
Catalog Number:
AG00139Z
Chemical Name:
Benzoic acid, 2-[(3-ethoxy-3-oxopropyl)thio]-
CAS Number:
137446-83-4
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
IUPAC Name:
2-(3-ethoxy-3-oxopropyl)sulfanylbenzoic acid
InChI:
InChI=1S/C12H14O4S/c1-2-16-11(13)7-8-17-10-6-4-3-5-9(10)12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
InChI Key:
HUSBSYHBKJTZBK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCSc1ccccc1C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.