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Home > Other Heterocycles > 16510-64-8
16510-64-8 | Bicyclo[3.2.0]hepta-2,6-diene, 5-methoxy-
CAS No: 16510-64-8 Catalog No: AG001V91 MDL No:
Product Description
Catalog Number:
AG001V91
Chemical Name:
Bicyclo[3.2.0]hepta-2,6-diene, 5-methoxy-
CAS Number:
16510-64-8
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
5-methoxybicyclo[3.2.0]hepta-2,6-diene
InChI:
InChI=1S/C8H10O/c1-9-8-5-2-3-7(8)4-6-8/h2-4,6-7H,5H2,1H3
InChI Key:
UBTDLNFKKJLELX-UHFFFAOYSA-N
SMILES:
COC12CC=CC2C=C1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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