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1194-97-4 | 1H-Pyrrole-2-carboxylic acid, 5-methyl-, methyl ester
CAS No: 1194-97-4 Catalog No: AG000IP9 MDL No:MFCD13182371
Product Description
Catalog Number:
AG000IP9
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-methyl-, methyl ester
CAS Number:
1194-97-4
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD13182371
IUPAC Name:
methyl 5-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H9NO2/c1-5-3-4-6(8-5)7(9)10-2/h3-4,8H,1-2H3
InChI Key:
CQYALQAMQXUBRO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)C
NSC Number:
134258
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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