AG00IC0E

Name: 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid
Brand: Angene Chemical
SKU: AG00IC0E

70111-46-5 | 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid

AG00IC0E

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CAS Number	70111-46-5
Catalog Number	AG00IC0E
Chemical Name	4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid
IUPAC Name	4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
InChI	InChI=1S/C13H17NO4S/c1-10-3-2-8-14(9-10)19(17,18)12-6-4-11(5-7-12)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChI Key	LJAXOFQLRQKTES-UHFFFAOYSA-N
MDL Number	MFCD04035502
Molecular Formula	C13H17NO4S
Molecular Weight	283.3434
SMILES	CC1CN(S(C2=CC=C(C(O)=O)C=C2)(=O)=O)CCC1
Synonyms	4-[(3-methylpiperidin-1-yl)sulfonyl]benzoic acid, 70111-46-5, 4-(3-Methylpiperidine-1-sulfonyl)benzoic acid, 4-[(3-methylpiperidyl)sulfonyl]benzoic acid, BAS 05063557, AC1MCJ93, AC1Q2R59, CTK6C2695, MFCD04035502, SBB038250, AKOS000200110, AKOS016038886, MCULE-5675276247, NE58954, ST50160307, EN300-10873, 4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid, 4-(3-Methyl-piperidine-1-sulfonyl)-benzoic acid, SR-01000362893, SR-01000362893-1, Z53035948, CID2770974,

Complexity	420
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.088g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.342g/mol
Monoisotopic Mass	283.088g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited