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127572-59-2 | 1H-Pyrrole-2-carboxylic acid, 4-(3,4-dimethoxyphenyl)-, ethyl ester
CAS No: 127572-59-2 Catalog No: AG000X70 MDL No:
Product Description
Catalog Number:
AG000X70
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-(3,4-dimethoxyphenyl)-, ethyl ester
CAS Number:
127572-59-2
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C15H17NO4/c1-4-20-15(17)12-7-11(9-16-12)10-5-6-13(18-2)14(8-10)19-3/h5-9,16H,4H2,1-3H3
InChI Key:
BXMIPSHBHFUGJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1)c1ccc(c(c1)OC)OC
NSC Number:
662560
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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