200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 136887-03-1
136887-03-1 | Pentanedioic acid, 2-[[(3,4-dimethylphenyl)thio]methyl]-
CAS No: 136887-03-1 Catalog No: AG0012IW MDL No:
Product Description
Catalog Number:
AG0012IW
Chemical Name:
Pentanedioic acid, 2-[[(3,4-dimethylphenyl)thio]methyl]-
CAS Number:
136887-03-1
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
IUPAC Name:
2-[(3,4-dimethylphenyl)sulfanylmethyl]pentanedioic acid
InChI:
InChI=1S/C14H18O4S/c1-9-3-5-12(7-10(9)2)19-8-11(14(17)18)4-6-13(15)16/h3,5,7,11H,4,6,8H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
GGGYDPKDZOVTLM-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(C(=O)O)CSc1ccc(c(c1)C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.