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119647-69-7 | 1H-Pyrrole-2-carboxylic acid, 4-acetyl-, ethyl ester
CAS No: 119647-69-7 Catalog No: AG000PF0 MDL No:
Product Description
Catalog Number:
AG000PF0
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-acetyl-, ethyl ester
CAS Number:
119647-69-7
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
ethyl 4-acetyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(12)8-4-7(5-10-8)6(2)11/h4-5,10H,3H2,1-2H3
InChI Key:
PHZSCVNFRGWVRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1)C(=O)C
Properties
Complexity:
215
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:
0.9
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