AG00BFD8

Name: 3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid
Brand: Angene Chemical
SKU: AG00BFD8

299181-35-4 | 3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid

AG00BFD8

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CAS Number	299181-35-4
Catalog Number	AG00BFD8
Chemical Name	3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid
IUPAC Name	3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid
InChI	InChI=1S/C14H19NO5S/c1-20-12-7-6-11(14(16)17)10-13(12)21(18,19)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)
InChI Key	SSIIBIGRHVVLAP-UHFFFAOYSA-N
MDL Number	MFCD00814139
Molecular Formula	C14H19NO5S
Molecular Weight	313.3694
SMILES	COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2
Synonyms	3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid, 3-(Azepane-1-sulfonyl)-4-methoxy-benzoic acid, 299181-35-4, BAS 06480617, AC1LFOP1, AC1Q44TC, Oprea1_729568, SCHEMBL7661191, CHEMBL1213101, CTK7A7487, ZINC215160, BBL002421, MFCD00814139, STK802630, AKOS000121839, MCULE-2341459365, H3502, 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid, 3-(azepane-1-sulfonyl)-4-methoxybenzoic acid, EN300-00637, AK-918/11143015, SR-01000455357, J-510795, SR-01000455357-1, 2-Methoxy-3-nitropyridin-4-amine, CID757123,

Complexity	451
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.098g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	313.368g/mol
Monoisotopic Mass	313.098g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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