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287-05-8 | Anthra[2,3-b]oxirene (9CI)
CAS No: 287-05-8 Catalog No: AG002W5F MDL No:
Product Description
Catalog Number:
AG002W5F
Chemical Name:
Anthra[2,3-b]oxirene (9CI)
CAS Number:
287-05-8
Molecular Formula:
C14H8O
Molecular Weight:
192.2127
IUPAC Name:
13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-1,3,5,7,9,11,14-heptaene
InChI:
InChI=1S/C14H8O/c1-2-4-10-6-12-8-14-13(15-14)7-11(12)5-9(10)3-1/h1-8H
InChI Key:
IFBGDMQHXZMSEZ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)cc2c(c1)O2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.217g/mol
Monoisotopic Mass:
192.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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