4-Amino-3-methanesulfonylbenzoic acid - CAS 34263-58-6

Catalog:	BB061373
Product Name:	4-Amino-3-methanesulfonylbenzoic acid
CAS:	34263-58-6
Synonyms:	4-Amino-3-methanesulfonylbenzoic acid; 4-amino-3-methylsulfonylbenzoic acid; 4-Amino-3-methanesulfonylbenzoicacid

Technical Data

Computed Properties

IUPAC Name:	4-amino-3-methylsulfonylbenzoic acid
Molecular Weight:	215.23
Molecular Formula:	C8H9NO4S
Canonical SMILES:	CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N
InChI:	InChI=1S/C8H9NO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChI Key:	CKXUUHUNEVUMHF-UHFFFAOYSA-N

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Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.02522894
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.02522894
Rotatable Bond Count:	2
Topological Polar Surface Area:	106Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6