AG00IAAT

Name: 2-(Methoxycarbonyl)benzenesulfonic acid
Brand: Angene Chemical
SKU: AG00IAAT

57897-77-5 | 2-(Methoxycarbonyl)benzenesulfonic acid

AG00IAAT

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CAS Number	57897-77-5
Catalog Number	AG00IAAT(AGN-PC-0SONPY)
Chemical Name	2-(Methoxycarbonyl)benzenesulfonic acid
IUPAC Name	2-methoxycarbonylbenzenesulfonic acid
InChI	InChI=1S/C8H8O5S/c1-13-8(9)6-4-2-3-5-7(6)14(10,11)12/h2-5H,1H3,(H,10,11,12)
InChI Key	FLCUEXJOTNUYJB-UHFFFAOYSA-N
MDL Number	MFCD27578460
Molecular Formula	C8H8O5S
Molecular Weight	216.2111
SMILES	COC(=O)c1ccccc1S(=O)(=O)O
Synonyms	2-(methoxycarbonyl)benzenesulfonic acid, 57897-77-5, SCHEMBL974358, ZINC59668475,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.009g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.207g/mol
Monoisotopic Mass	216.009g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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