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1197-13-3 | 1H-Pyrrole-2-carboxylic acid, 5-formyl-, methyl ester
CAS No: 1197-13-3 Catalog No: AG000PH1 MDL No:MFCD09878545
Product Description
Catalog Number:
AG000PH1
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-formyl-, methyl ester
CAS Number:
1197-13-3
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD09878545
IUPAC Name:
methyl 5-formyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H7NO3/c1-11-7(10)6-3-2-5(4-9)8-6/h2-4,8H,1H3
InChI Key:
PRCYHYGREGWAAN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)C=O
NSC Number:
244809
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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