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137756-13-9 | 9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-
CAS No: 137756-13-9 Catalog No: AG0013SV MDL No:
Product Description
Catalog Number:
AG0013SV
Chemical Name:
9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-
CAS Number:
137756-13-9
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
InChI:
InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
InChI Key:
WEBVBZDGWMAXEF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c1c2ccnc1CCC(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Cytotoxic and antimalarial beta-carboline alkaloids from the roots of Eurycoma longifolia. | Journal of natural products 20031001 |
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