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Home > Indoles and Oxindole > 88129-41-3
88129-41-3 | 1H-Pyrido[3,4-b]indol-1-one, 2,9-dihydro-9-methyl-3-(trimethoxymethyl)-
CAS No: 88129-41-3 Catalog No: AG004FHH MDL No:
Product Description
Catalog Number:
AG004FHH
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2,9-dihydro-9-methyl-3-(trimethoxymethyl)-
CAS Number:
88129-41-3
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
9-methyl-3-(trimethoxymethyl)-2H-pyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C16H18N2O4/c1-18-12-8-6-5-7-10(12)11-9-13(17-15(19)14(11)18)16(20-2,21-3)22-4/h5-9H,1-4H3,(H,17,19)
InChI Key:
VHLAMPVEYRVYLX-UHFFFAOYSA-N
SMILES:
COC(c1[nH]c(=O)c2c(c1)c1ccccc1n2C)(OC)OC
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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