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132847-84-8 | 8H-Oxazolo[5,4-h]pyrrolo[2,3-f]quinoline-5,7,9-tricarboxylic acid
CAS No: 132847-84-8 Catalog No: AG00118W MDL No:
Product Description
Catalog Number:
AG00118W
Chemical Name:
8H-Oxazolo[5,4-h]pyrrolo[2,3-f]quinoline-5,7,9-tricarboxylic acid
CAS Number:
132847-84-8
Molecular Formula:
C15H7N3O7
Molecular Weight:
341.2320
IUPAC Name:
5-oxa-3,10,16-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,3,6,8,10,12,14-heptaene-9,13,15-tricarboxylic acid
InChI:
InChI=1S/C15H7N3O7/c19-13(20)4-1-6(14(21)22)18-10-8(4)9-5(2-7(17-9)15(23)24)12-11(10)16-3-25-12/h1-3,18H,(H,19,20)(H,21,22)(H,23,24)
InChI Key:
ZRTFQQFHWZPYQM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C(=O)O)c2c(n1)c1ncoc1c1c2[nH]c(c1)C(=O)O
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.028g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
341.235g/mol
Monoisotopic Mass:
341.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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