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1193-62-0 | Methyl 1H-pyrrole-2-carboxylate
CAS No: 1193-62-0 Catalog No: AG000IK2 MDL No:MFCD00817048
Product Description
Catalog Number:
AG000IK2
Chemical Name:
Methyl 1H-pyrrole-2-carboxylate
CAS Number:
1193-62-0
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00817048
IUPAC Name:
methyl 1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H3
InChI Key:
VONGYFFEWFJHNP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc[nH]1
UNII:
3BEG2CK3LU
NSC Number:
48131
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Methyl 1H-pyrrole-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090901 |
| Catalytic asymmetric hydrogenation of 2,3,5-trisubstituted pyrroles. | Journal of the American Chemical Society 20080123 |
| A novel synthesis of arylpyrrolo[1,2-a]pyrazinone derivatives. | Molecules (Basel, Switzerland) 20040630 |
| Vibrational spectrum of methyl pyrrole-2-carboxylate. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020101 |
| Dimethyl 2-[[2-(methoxycarbonyl)-1-(methoxycarbonylmethyl)pyrrol-4-yl]methylene]propanedioate. | Acta crystallographica. Section C, Crystal structure communications 20010801 |
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