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76834-79-2 | 1H-Indole-3-propanoic acid, 5-methoxy-, phenylmethyl ester
CAS No: 76834-79-2 Catalog No: AG005HK2 MDL No:
Product Description
Catalog Number:
AG005HK2
Chemical Name:
1H-Indole-3-propanoic acid, 5-methoxy-, phenylmethyl ester
CAS Number:
76834-79-2
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
IUPAC Name:
benzyl 3-(5-methoxy-1H-indol-3-yl)propanoate
InChI:
InChI=1S/C19H19NO3/c1-22-16-8-9-18-17(11-16)15(12-20-18)7-10-19(21)23-13-14-5-3-2-4-6-14/h2-6,8-9,11-12,20H,7,10,13H2,1H3
InChI Key:
FNJYDLQOPWHALY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCC(=O)OCc1ccccc1)c[nH]2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.365g/mol
Monoisotopic Mass:
309.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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