AG019OYP

Name: 4-[(4-Acetylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene Chemical
SKU: AG019OYP

881932-99-6 | 4-[(4-Acetylpiperazin-1-yl)sulfonyl]benzoic acid

AG019OYP

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CAS Number	881932-99-6
Catalog Number	AG019OYP
Chemical Name	4-[(4-Acetylpiperazin-1-yl)sulfonyl]benzoic acid
IUPAC Name	4-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid
InChI	InChI=1S/C13H16N2O5S/c1-10(16)14-6-8-15(9-7-14)21(19,20)12-4-2-11(3-5-12)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChI Key	JMLNAYZIFSGIBV-UHFFFAOYSA-N
MDL Number	MFCD08163085
Molecular Formula	C13H16N2O5S
Molecular Weight	312.3415
SMILES	CC(N1CCN(S(C2=CC=C(C(O)=O)C=C2)(=O)=O)CC1)=O
Synonyms	4-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid, 881932-99-6, 4-(4-acetylpiperazin-1-ylsulfonyl)benzoic acid, 4-((4-acetylpiperazin-1-yl)sulfonyl)benzoic acid, AC1ORRIT, AC1Q1KEE, 4-(4-acetylpiperazin-1-yl)sulfonylbenzoic Acid, SCHEMBL1014480, CTK6A0478, JMLNAYZIFSGIBV-UHFFFAOYSA-N, ZINC5553911, AKOS000118144, MCULE-2651283282, NE36163, ST50496165, 4-[(4-acetylpiperazinyl)sulfonyl]benzoic acid, EN300-16251, VU0608223-1, 4-(4-acetylpiperazine-1-sulfonyl)benzoic acid, Z53036679, F3267-0065, CID7730578,

Complexity	497
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