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85878-62-2 | pyrido(3,4-c)psoralen
CAS No: 85878-62-2 Catalog No: AG00GL3Q MDL No:
Product Description
Catalog Number:
AG00GL3Q
Chemical Name:
pyrido(3,4-c)psoralen
CAS Number:
85878-62-2
IUPAC Name:
9,13-dioxa-5-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,14,16-heptaen-8-one
InChI:
InChI=1S/C14H7NO3/c16-14-11-7-15-3-1-9(11)10-5-8-2-4-17-12(8)6-13(10)18-14/h1-7H
InChI Key:
PMLPQOIOSQFFPW-UHFFFAOYSA-N
UNII:
IJ1OH5V1HP
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.214g/mol
Monoisotopic Mass:
237.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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