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Home > Indoles and Oxindole > 1171924-26-7
1171924-26-7 | 2-[2-(1H-Indol-3-yl)-ethyl]-6-methoxy-benzoic acid methyl ester
CAS No: 1171924-26-7 Catalog No: AG00JS4J MDL No:
Product Description
Catalog Number:
AG00JS4J
Chemical Name:
2-[2-(1H-Indol-3-yl)-ethyl]-6-methoxy-benzoic acid methyl ester
CAS Number:
1171924-26-7
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
IUPAC Name:
methyl 2-[2-(1H-indol-3-yl)ethyl]-6-methoxybenzoate
InChI:
InChI=1S/C19H19NO3/c1-22-17-9-5-6-13(18(17)19(21)23-2)10-11-14-12-20-16-8-4-3-7-15(14)16/h3-9,12,20H,10-11H2,1-2H3
InChI Key:
CKXVIMZZSZGQMU-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1OC)CCc1c[nH]c2c1cccc2
Properties
Complexity:
400
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:
6
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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