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132035-64-4 | Benzoic acid, 4-[(acetylthio)methyl]-
CAS No: 132035-64-4 Catalog No: AG00103A MDL No:
Product Description
Catalog Number:
AG00103A
Chemical Name:
Benzoic acid, 4-[(acetylthio)methyl]-
CAS Number:
132035-64-4
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
4-(acetylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C10H10O3S/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
QKTURUWIOATPBH-UHFFFAOYSA-N
SMILES:
CC(=O)SCc1ccc(cc1)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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