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131475-13-3 | 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(phenylmethyl)-, ethyl ester
CAS No: 131475-13-3 Catalog No: AG000W9B MDL No:
Product Description
Catalog Number:
AG000W9B
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(phenylmethyl)-, ethyl ester
CAS Number:
131475-13-3
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
ethyl 4-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C16H19NO2/c1-4-19-16(18)15-11(2)14(12(3)17-15)10-13-8-6-5-7-9-13/h5-9,17H,4,10H2,1-3H3
InChI Key:
VYBDDJYNGLITGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)Cc1ccccc1)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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