Home Carboxys 1H-Pyrrole-2-aceticacid, 3-carboxy-1,4-dimethyl-, 2-methyl ester

1H-Pyrrole-2-aceticacid, 3-carboxy-1,4-dimethyl-, 2-methyl ester

CAS No.:
71959-95-0
Catalog Number:
AG0060P4
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
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Product Description
Catalog Number:
AG0060P4
Chemical Name:
1H-Pyrrole-2-aceticacid, 3-carboxy-1,4-dimethyl-, 2-methyl ester
CAS Number:
71959-95-0
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD00069008
IUPAC Name:
2-(2-methoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C10H13NO4/c1-6-5-11(2)7(4-8(12)15-3)9(6)10(13)14/h5H,4H2,1-3H3,(H,13,14)
InChI Key:
CEDSJOYSTAOUQU-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1n(C)cc(c1C(=O)O)C
EC Number:
276-208-2
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties