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823207-03-0 | 1H-Benz[e]indole-2-carboxylic acid, 1,1-dimethyl-, phenyl ester
CAS No: 823207-03-0 Catalog No: AG004ZBA MDL No:
Product Description
Catalog Number:
AG004ZBA
Chemical Name:
1H-Benz[e]indole-2-carboxylic acid, 1,1-dimethyl-, phenyl ester
CAS Number:
823207-03-0
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
IUPAC Name:
phenyl 1,1-dimethylbenzo[e]indole-2-carboxylate
InChI:
InChI=1S/C21H17NO2/c1-21(2)18-16-11-7-6-8-14(16)12-13-17(18)22-19(21)20(23)24-15-9-4-3-5-10-15/h3-13H,1-2H3
InChI Key:
CHMXVGMMUBNDPX-UHFFFAOYSA-N
SMILES:
O=C(C1=Nc2c(C1(C)C)c1ccccc1cc2)Oc1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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