4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid


Chemical Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CAS Number: 50296-60-1
Product Number: AG00DY2J(AGN-PC-0JMSST)
Synonyms:
MDL No:
Molecular Formula: C9H11NO4
Molecular Weight: 197.1879

Identification/Properties


Computed Properties
Molecular Weight:
197.19g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
197.069g/mol
Monoisotopic Mass:
197.069g/mol
Topological Polar Surface Area:
79.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
253
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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