Computed Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.02998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.24g/mol
Monoisotopic Mass:
214.02998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Synonyms
2-METHYL-3-(METHYLSULFONYL)BENZOIC ACID
1186663-49-9
ZINC42684407
3-methanesulfonyl-2-methylbenzoic acid
AKOS015852474
TRA0094561
AS-31979
SY006348
AB0065562
DB-014547
TR-056635
FT-0769788
2-methyl-3-methylsulfonylbenzoic acid
Z-3985
MFCD12828710 (97+%)
3-Methanesulfonylmethyl-benzoic acid
C9H10O4S
AJ-104569
261924-94-1
2-Methyl-3-(methylsulfonyl)benzoicAcid
SCHEMBL147992
CTK7I8808
KS-00000CIB
WMALKKDIJHZYRM-UHFFFAOYSA-N
3-Methanesulfonylmethylbenzoic acid
5582AJ
