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95735-63-0 | (3,4-Dimethoxyphenylthio)acetic acid, 97%
CAS No: 95735-63-0 Catalog No: AG003BQG MDL No:MFCD00052112
Product Description
Catalog Number:
AG003BQG
Chemical Name:
(3,4-Dimethoxyphenylthio)acetic acid, 97%
CAS Number:
95735-63-0
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD00052112
IUPAC Name:
2-(3,4-dimethoxyphenyl)sulfanylacetic acid
InChI:
InChI=1S/C10H12O4S/c1-13-8-4-3-7(5-9(8)14-2)15-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
ANVXBTSSFGHHBD-UHFFFAOYSA-N
SMILES:
COc1cc(SCC(=O)O)ccc1OC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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