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161334-06-1 | Pyrido[2,3,4,5-lmn]phenanthridine-2-carboxylic acid, 7-amino-4,5,9,10-tetrahydro-5,10-dioxo-
CAS No: 161334-06-1 Catalog No: AG001SCZ MDL No:
Product Description
Catalog Number:
AG001SCZ
Chemical Name:
Pyrido[2,3,4,5-lmn]phenanthridine-2-carboxylic acid, 7-amino-4,5,9,10-tetrahydro-5,10-dioxo-
CAS Number:
161334-06-1
Molecular Formula:
C15H9N3O4
Molecular Weight:
295.2497
IUPAC Name:
13-amino-3,10-dioxo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-6-carboxylic acid
InChI:
InChI=1S/C15H9N3O4/c16-6-3-8-12-10(4-6)18-13(19)7-1-5(15(21)22)2-9(11(7)12)17-14(8)20/h1-4H,16H2,(H,17,20)(H,18,19)(H,21,22)
InChI Key:
UKTOKLJRFZXMTD-UHFFFAOYSA-N
SMILES:
Nc1cc2[nH]c(=O)c3c4c2c(c1)c(=O)[nH]c4cc(c3)C(=O)O
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
295.254g/mol
Monoisotopic Mass:
295.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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