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17491-49-5 | 3H-Cyclopenta[5',6']naphtho[2',1':1,7]cyclohept[1,2-b]oxirene (9CI)
CAS No: 17491-49-5 Catalog No: AG00202F MDL No:
Product Description
Catalog Number:
AG00202F
Chemical Name:
3H-Cyclopenta[5',6']naphtho[2',1':1,7]cyclohept[1,2-b]oxirene (9CI)
CAS Number:
17491-49-5
Molecular Formula:
C18H12O
Molecular Weight:
244.2873
IUPAC Name:
8-oxapentacyclo[10.7.0.02,9.07,9.013,17]nonadeca-1,3,6,10,12,14,16,18-octaene
InChI:
InChI=1S/C18H12O/c1-2-7-17-18(19-17)11-10-14-13-5-3-4-12(13)8-9-15(14)16(18)6-1/h1,3-11H,2H2
InChI Key:
WQXUIAFLDDXKGM-UHFFFAOYSA-N
SMILES:
C1=CC2=c3ccc4=CC=Cc4c3C=CC32C(=CC1)O3
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.293g/mol
Monoisotopic Mass:
244.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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