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85945-22-8 | 1a,2,3,11b-tetrahydrobenzo[a]oxireno[j]acridine-2,3-diol
CAS No: 85945-22-8 Catalog No: AG004W38 MDL No:
Product Description
Catalog Number:
AG004W38
Chemical Name:
1a,2,3,11b-tetrahydrobenzo[a]oxireno[j]acridine-2,3-diol
CAS Number:
85945-22-8
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
5-oxa-10-azapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
InChI:
InChI=1S/C17H13NO3/c19-14-13-11(16-17(21-16)15(14)20)7-10-9-4-2-1-3-8(9)5-6-12(10)18-13/h1-7,14-17,19-20H
InChI Key:
QLNLUXGICLCKIL-UHFFFAOYSA-N
SMILES:
OC1C2OC2c2c(C1O)nc1c(c2)c2ccccc2cc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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