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208774-33-8 | 1H-Indole-7-carboxylic acid, phenylMethyl ester
CAS No: 208774-33-8 Catalog No: AG002JVM MDL No:
Product Description
Catalog Number:
AG002JVM
Chemical Name:
1H-Indole-7-carboxylic acid, phenylMethyl ester
CAS Number:
208774-33-8
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
benzyl 1H-indole-7-carboxylate
InChI:
InChI=1S/C16H13NO2/c18-16(19-11-12-5-2-1-3-6-12)14-8-4-7-13-9-10-17-15(13)14/h1-10,17H,11H2
InChI Key:
UMGLSMYSWIQHOX-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1[nH]cc2)OCc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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