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175276-52-5 | 1H-Pyrrole-3-carboxylic acid, 4-formyl-2,5-dimethyl-1-phenyl-, ethyl ester
CAS No: 175276-52-5 Catalog No: AG0020QQ MDL No:MFCD00204225
Product Description
Catalog Number:
AG0020QQ
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-formyl-2,5-dimethyl-1-phenyl-, ethyl ester
CAS Number:
175276-52-5
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
MDL Number:
MFCD00204225
IUPAC Name:
ethyl 4-formyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate
InChI:
InChI=1S/C16H17NO3/c1-4-20-16(19)15-12(3)17(11(2)14(15)10-18)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChI Key:
BGDYIZGTPVRWAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n(c(c1C=O)C)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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