AG00ID18

Name: 3-[4-(Azepane-1-sulfonyl)phenyl]propanoic acid
Brand: Angene Chemical
SKU: AG00ID18

793678-96-3 | 3-[4-(Azepane-1-sulfonyl)phenyl]propanoic acid

AG00ID18

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CAS Number	793678-96-3
Catalog Number	AG00ID18
Chemical Name	3-[4-(Azepane-1-sulfonyl)phenyl]propanoic acid
IUPAC Name	3-[4-(azepan-1-ylsulfonyl)phenyl]propanoic acid
InChI	InChI=1S/C15H21NO4S/c17-15(18)10-7-13-5-8-14(9-6-13)21(19,20)16-11-3-1-2-4-12-16/h5-6,8-9H,1-4,7,10-12H2,(H,17,18)
InChI Key	XSYFXXZHIBXOBW-UHFFFAOYSA-N
MDL Number	MFCD06363472
Molecular Formula	C15H21NO4S
Molecular Weight	311.3965
SMILES	OC(CCC1=CC=C(S(N2CCCCCC2)(=O)=O)C=C1)=O
Synonyms	3-[4-(azepane-1-sulfonyl)phenyl]propanoic acid, 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoic Acid, 793678-96-3, AC1M9AGD, AC1Q758D, CTK7J3044, ZINC3434762, MFCD06363472, AKOS008967753, MCULE-9953510133, NE27766, EN300-11331, Z57041987, CID2554519,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.119g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	311.396g/mol
Monoisotopic Mass	311.119g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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