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86126-11-6 | 6-phenyl-1a,9a-dihydro-4h-[1]benzoxireno[2,3-h]chromen-4-one
CAS No: 86126-11-6 Catalog No: AG004TX0 MDL No:
Product Description
Catalog Number:
AG004TX0
Chemical Name:
6-phenyl-1a,9a-dihydro-4h-[1]benzoxireno[2,3-h]chromen-4-one
CAS Number:
86126-11-6
Molecular Formula:
C19H12O3
Molecular Weight:
288.2968
IUPAC Name:
4-phenyl-3,12-dioxatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),4,8,14-pentaen-6-one
InChI:
InChI=1S/C19H12O3/c20-15-10-17(11-4-2-1-3-5-11)22-18-12-8-9-16-19(21-16)13(12)6-7-14(15)18/h1-10,16,19H
InChI Key:
PZNMHMCHBGHHTG-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1ccc1c2C=CC2C1O2)c1ccccc1
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.302g/mol
Monoisotopic Mass:
288.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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