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88208-27-9 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-propyl-
CAS No: 88208-27-9 Catalog No: AG004BMM MDL No:
Product Description
Catalog Number:
AG004BMM
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 9-propyl-
CAS Number:
88208-27-9
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
9-propylpyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C15H14N2O2/c1-2-7-17-13-6-4-3-5-10(13)11-8-12(15(18)19)16-9-14(11)17/h3-6,8-9H,2,7H2,1H3,(H,18,19)
InChI Key:
CJPARJMJCIPCFH-UHFFFAOYSA-N
SMILES:
CCCn1c2cnc(cc2c2c1cccc2)C(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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