AG00FH3U

Name: 5-(methoxycarbonyl)-1h-pyrrole-3-carboxylic acid
Brand: Angene Chemical
SKU: AG00FH3U

67858-48-4 | 5-(methoxycarbonyl)-1h-pyrrole-3-carboxylic acid

AG00FH3U

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CAS Number	67858-48-4
Catalog Number	AG00FH3U(AGN-PC-0OGDUN)
Chemical Name	5-(methoxycarbonyl)-1h-pyrrole-3-carboxylic acid
IUPAC Name	5-methoxycarbonyl-1H-pyrrole-3-carboxylic acid
InChI	InChI=1S/C7H7NO4/c1-12-7(11)5-2-4(3-8-5)6(9)10/h2-3,8H,1H3,(H,9,10)
InChI Key	DCLXLCVLMVUYQH-UHFFFAOYSA-N
MDL Number	MFCD13183827
Molecular Formula	C7H7NO4
Molecular Weight	169.1348
SMILES	COC(=O)C1=CC(=CN1)C(=O)O
Synonyms	67858-48-4, 5-(methoxycarbonyl)-1H-pyrrole-3-carboxylic acid, 1H-pyrrole-2,4-dicarboxylic acid 2-methyl ester, pyrrole-2,4-dicarboxylic acid 2-methyl ester, SCHEMBL1664710, DCLXLCVLMVUYQH-UHFFFAOYSA-N, MFCD13183827, ZINC75557338, AKOS022637814, AS-43857, Z2211231398,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.136g/mol
Monoisotopic Mass	169.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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