2-Methanesulfonylpyrimidine-4-carboxylic acid - CAS 1370411-46-3

Catalog:	BB060216
Product Name:	2-Methanesulfonylpyrimidine-4-carboxylic acid
CAS:	1370411-46-3
Synonyms:	2-(Methylsulfonyl)pyrimidine-4-carboxylic acid; 2-Methanesulfonylpyrimidine-4-carboxylic acid; 2-methylsulfonylpyrimidine-4-carboxylic acid; 2-(methylsulfonyl)-4-Pyrimidinecarboxylic acid; 2-(Methanesulfonyl)pyrimidine-4-carboxylic acid

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Computed Properties

IUPAC Name:	2-methylsulfonylpyrimidine-4-carboxylic acid
Description:	2-Methanesulfonylpyrimidine-4-carboxylic acid
Molecular Weight:	202.19
Molecular Formula:	C6H6N2O4S
Canonical SMILES:	CS(=O)(=O)C1=NC=CC(=N1)C(=O)O
InChI:	InChI=1S/C6H6N2O4S/c1-13(11,12)6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
InChI Key:	WSXZNFILTBDHHA-UHFFFAOYSA-N

Publication Number	Title	Priority Date
TW-200940535-A	Novel pyrimidine-pyridine derivatives	20080306
ES-2449749-T3	New pyrimidine derivatives	20071101
KR-20070026318-A	Pyrrole derivatives with antimicrobial activity	20030913
EP-1646748-A2	Inks for digital textile printing with reactive yellow fluorescent dyes	20030710
WO-2005005553-A2	Inks for digital textile printing with reactive yellow fluorescent dyes	20030710
CN-1250551-C	Spirocyclic-6,7-dihydro-5h-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines	20010920
CN-1555379-A	Spirocyclic-6,7-dihydro-5h-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines	20010920
AU-2002338334-B2	N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B antagonists	20010403
AU-2002338334-B8	N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B antagonists	20010403
CA-2443108-A1	N-substituted nonaryl-heterocyclo amidyl nmda/nr2b antagonists	20010403

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.00482785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.00482785
Rotatable Bond Count:	2
Topological Polar Surface Area:	106Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4