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113516-80-6 | 3H-Naphth[2,3-e]indole-2-carboxylic acid, 3-methyl-, ethyl ester
CAS No: 113516-80-6 Catalog No: AG0008UW MDL No:
Product Description
Catalog Number:
AG0008UW
Chemical Name:
3H-Naphth[2,3-e]indole-2-carboxylic acid, 3-methyl-, ethyl ester
CAS Number:
113516-80-6
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
ethyl 3-methylnaphtho[2,3-e]indole-2-carboxylate
InChI:
InChI=1S/C20H17NO2/c1-3-23-20(22)19-12-17-16-11-14-7-5-4-6-13(14)10-15(16)8-9-18(17)21(19)2/h4-12H,3H2,1-2H3
InChI Key:
AIURBHMEIISBIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1C)ccc1c2cc2ccccc2c1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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