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15791-46-5 | Cyclopenta[5',6']naphtho[2',1':4,5]cyclohept[1,2-b]oxirene (9CI)
CAS No: 15791-46-5 Catalog No: AG001PTA MDL No:
Product Description
Catalog Number:
AG001PTA
Chemical Name:
Cyclopenta[5',6']naphtho[2',1':4,5]cyclohept[1,2-b]oxirene (9CI)
CAS Number:
15791-46-5
Molecular Formula:
C18H10O
Molecular Weight:
242.2714
IUPAC Name:
6-oxapentacyclo[10.7.0.02,9.05,7.013,17]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
InChI:
InChI=1S/C18H10O/c1-2-11-4-6-16-14-8-9-17-18(19-17)10-12(14)5-7-15(16)13(11)3-1/h1-10H
InChI Key:
LDMROZRODQZKMA-UHFFFAOYSA-N
SMILES:
C1=Cc2c(=C1)c1ccc3c(=CC=C4C(=C3)O4)c1cc2
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.277g/mol
Monoisotopic Mass:
242.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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