AG00IA54

Name: 3-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene Chemical
SKU: AG00IA54

568577-57-1 | 3-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid

AG00IA54

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CAS Number	568577-57-1
Catalog Number	AG00IA54
Chemical Name	3-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid
IUPAC Name	3-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid
InChI	InChI=1S/C13H16N2O5S/c1-10(16)14-5-7-15(8-6-14)21(19,20)12-4-2-3-11(9-12)13(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)
InChI Key	IIRUALMFSFVLCB-UHFFFAOYSA-N
MDL Number	MFCD04607183
Molecular Formula	C13H16N2O5S
Molecular Weight	312.3415
SMILES	C(C)(=O)N1CCN(CC1)S(=O)(=O)C=1C=C(C(=O)O)C=CC1
Synonyms	568577-57-1, 3-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid, 3-(4-Acetyl-piperazine-1-sulfonyl)-benzoic acid, AC1M7IZM, AC1Q1KEF, 3-(4-acetylpiperazin-1-yl)sulfonylbenzoic Acid, 3-[(4-acetyl-1-piperazinyl)sulfonyl]Benzoic acid, SCHEMBL14658977, CTK6A0480, IIRUALMFSFVLCB-UHFFFAOYSA-N, ZINC3327106, MFCD04607183, AKOS002317201, MCULE-6628316706, NE21552, FT-0743725, ST50774910, 3-[(4-acetylpiperazinyl)sulfonyl]benzoic acid, EN300-06569, 3-(4-acetyl-piperazine-1-sulfonyl)benzoic acid, Z53036669, CID2442820,

Complexity	505
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.078g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.34g/mol
Monoisotopic Mass	312.078g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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