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802893-54-5 | Benzenemethanesulfonicacid, 2-hydroxy-3,5-dimethyl-
CAS No: 802893-54-5 Catalog No: AG005BRP MDL No:
Product Description
Catalog Number:
AG005BRP
Chemical Name:
Benzenemethanesulfonicacid, 2-hydroxy-3,5-dimethyl-
CAS Number:
802893-54-5
Molecular Formula:
C9H12O4S
Molecular Weight:
216.2542
IUPAC Name:
(2-hydroxy-3,5-dimethylphenyl)methanesulfonic acid
InChI:
InChI=1S/C9H12O4S/c1-6-3-7(2)9(10)8(4-6)5-14(11,12)13/h3-4,10H,5H2,1-2H3,(H,11,12,13)
InChI Key:
ALSZOQWHLNDUBX-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)CS(=O)(=O)O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.251g/mol
Monoisotopic Mass:
216.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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