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100372-62-1 | 1H-Indole-3-propanoic acid, 5-methoxy-, methyl ester
CAS No: 100372-62-1 Catalog No: AG0001SY MDL No:
Product Description
Catalog Number:
AG0001SY
Chemical Name:
1H-Indole-3-propanoic acid, 5-methoxy-, methyl ester
CAS Number:
100372-62-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
methyl 3-(5-methoxy-1H-indol-3-yl)propanoate
InChI:
InChI=1S/C13H15NO3/c1-16-10-4-5-12-11(7-10)9(8-14-12)3-6-13(15)17-2/h4-5,7-8,14H,3,6H2,1-2H3
InChI Key:
UJZCGIMHNVFNMZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1c[nH]c2c1cc(OC)cc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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