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Home > Other Heterocycles > 69444-41-3
69444-41-3 | Bicyclo[4.2.2]deca-2,4,7,9-tetraene, 2-methoxy-
CAS No: 69444-41-3 Catalog No: AG005ZBF MDL No:
Product Description
Catalog Number:
AG005ZBF
Chemical Name:
Bicyclo[4.2.2]deca-2,4,7,9-tetraene, 2-methoxy-
CAS Number:
69444-41-3
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
2-methoxybicyclo[4.2.2]deca-2,4,7,9-tetraene
InChI:
InChI=1S/C11H12O/c1-12-11-4-2-3-9-5-7-10(11)8-6-9/h2-10H,1H3
InChI Key:
USHLTQMVGHDARO-UHFFFAOYSA-N
SMILES:
COC1=CC=CC2C=CC1C=C2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.8
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