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Home > Other Heterocycles > 83396-38-7
83396-38-7 | 7,8-Dioxabicyclo[4.2.2]deca-2,4,9-triene, 9-methoxy-
CAS No: 83396-38-7 Catalog No: AG0054LE MDL No:
Product Description
Catalog Number:
AG0054LE
Chemical Name:
7,8-Dioxabicyclo[4.2.2]deca-2,4,9-triene, 9-methoxy-
CAS Number:
83396-38-7
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
9-methoxy-7,8-dioxabicyclo[4.2.2]deca-2,4,9-triene
InChI:
InChI=1S/C9H10O3/c1-10-9-6-7-4-2-3-5-8(9)12-11-7/h2-8H,1H3
InChI Key:
IRKOGTLVWVRXTG-UHFFFAOYSA-N
SMILES:
COC1=CC2C=CC=CC1OO2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
1.5
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