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23629-55-2 | Benz[5,6]indeno[4',5':3,4]cyclohept[1,2-b]oxirene (9CI)
CAS No: 23629-55-2 Catalog No: AG002NY9 MDL No:
Product Description
Catalog Number:
AG002NY9
Chemical Name:
Benz[5,6]indeno[4',5':3,4]cyclohept[1,2-b]oxirene (9CI)
CAS Number:
23629-55-2
Molecular Formula:
C18H10O
Molecular Weight:
242.2714
IUPAC Name:
3-oxapentacyclo[10.7.0.02,4.06,11.015,19]nonadeca-1,4,6,8,10,12,14,16,18-nonaene
InChI:
InChI=1S/C18H10O/c1-2-6-13-12(4-1)10-16-18(19-16)17-14-7-3-5-11(14)8-9-15(13)17/h1-10H
InChI Key:
ZCRKCAHBCMTPEX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1Oc1c1c2ccc2c1ccc2
Properties
Complexity:
664
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:
3
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