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84401-11-6 | 1H-Indole-4-carboxylic acid, phenylmethyl ester
CAS No: 84401-11-6 Catalog No: AG0055R6 MDL No:
Product Description
Catalog Number:
AG0055R6
Chemical Name:
1H-Indole-4-carboxylic acid, phenylmethyl ester
CAS Number:
84401-11-6
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
benzyl 1H-indole-4-carboxylate
InChI:
InChI=1S/C16H13NO2/c18-16(19-11-12-5-2-1-3-6-12)14-7-4-8-15-13(14)9-10-17-15/h1-10,17H,11H2
InChI Key:
UPIHDKSHKSBWEM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1cc[nH]2)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:
3.1
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