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825623-46-9 | 1H-Indole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS No: 825623-46-9 Catalog No: AG004YK0 MDL No:
Product Description
Catalog Number:
AG004YK0
Chemical Name:
1H-Indole-2-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS Number:
825623-46-9
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
ethyl 5-(4-methoxyphenyl)-1H-indole-2-carboxylate
InChI:
InChI=1S/C18H17NO3/c1-3-22-18(20)17-11-14-10-13(6-9-16(14)19-17)12-4-7-15(21-2)8-5-12/h4-11,19H,3H2,1-2H3
InChI Key:
VGOZQRTVFUGCLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1ccc(cc1)OC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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