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203-00-9 | 1H-Benz[3,4]isobenzofuro[1,7-bc][1]benzopyran (8CI,9CI)
CAS No: 203-00-9 Catalog No: AG0028MW MDL No:
Product Description
Catalog Number:
AG0028MW
Chemical Name:
1H-Benz[3,4]isobenzofuro[1,7-bc][1]benzopyran (8CI,9CI)
CAS Number:
203-00-9
Molecular Formula:
C17H10O2
Molecular Weight:
246.2601
IUPAC Name:
2,19-dioxapentacyclo[14.2.1.03,8.09,18.012,17]nonadeca-1(18),3,5,7,9,11,14,16-octaene
InChI:
InChI=1S/C17H10O2/c1-2-6-13-11(5-1)12-9-8-10-4-3-7-14-15(10)16(12)17(18-13)19-14/h1-3,5-9H,4H2
InChI Key:
GQHNMCOWXSYPDS-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Oc1c3c2ccc2c3c(o1)C=CC2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.265g/mol
Monoisotopic Mass:
246.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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