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26018-30-4 | 1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl-, ethyl ester
CAS No: 26018-30-4 Catalog No: AG002REH MDL No:MFCD00229020
Product Description
Catalog Number:
AG002REH
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl-, ethyl ester
CAS Number:
26018-30-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00229020
IUPAC Name:
ethyl 5-formyl-3-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(12)8-6(2)4-7(5-11)10-8/h4-5,10H,3H2,1-2H3
InChI Key:
NJOCLQRXCADRBX-UHFFFAOYSA-N
SMILES:
Cc1cc([nH]c1C(=O)OCC)C=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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