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13007-63-1 | 6H-Cyclohepta[4,5]cyclopropa[5,6]pentaleno[1,2-b]oxirene
CAS No: 13007-63-1 Catalog No: AG000TZH MDL No:
Product Description
Catalog Number:
AG000TZH
Chemical Name:
6H-Cyclohepta[4,5]cyclopropa[5,6]pentaleno[1,2-b]oxirene
CAS Number:
13007-63-1
Molecular Formula:
C14H8O
Molecular Weight:
192.2127
IUPAC Name:
6-oxapentacyclo[8.5.0.01,3.04,9.05,7]pentadeca-3,5(7),8,10,12,14-hexaene
InChI:
InChI=1S/C14H8O/c1-2-4-9-8-6-11-13(15-11)12(8)10-7-14(9,10)5-3-1/h1-6H,7H2
InChI Key:
UIDINHUDZZOTHY-UHFFFAOYSA-N
SMILES:
C1=CC=C2C3(C=C1)CC3=C1C2=CC2=C1O2
Properties
Complexity:
620
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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