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89224-69-1 | 4H-Furo[3,2-b]indole-2-carboxylic acid, 3-ethoxy-7-methoxy-4-phenyl-
CAS No: 89224-69-1 Catalog No: AG0044M1 MDL No:
Product Description
Catalog Number:
AG0044M1
Chemical Name:
4H-Furo[3,2-b]indole-2-carboxylic acid, 3-ethoxy-7-methoxy-4-phenyl-
CAS Number:
89224-69-1
Molecular Formula:
C20H17NO5
Molecular Weight:
351.3527
IUPAC Name:
3-ethoxy-7-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
InChI:
InChI=1S/C20H17NO5/c1-3-25-18-16-17(26-19(18)20(22)23)14-11-13(24-2)9-10-15(14)21(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,22,23)
InChI Key:
VFWAJXMRCXLCOW-UHFFFAOYSA-N
SMILES:
CCOc1c(oc2c1n(c1ccccc1)c1c2cc(cc1)OC)C(=O)O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.358g/mol
Monoisotopic Mass:
351.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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