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Home > Other Heterocycles > 128902-03-4
128902-03-4 | Bicyclo[5.3.1]undeca-1(11),7,9-triene, 11-methoxy-
CAS No: 128902-03-4 Catalog No: AG000YHB MDL No:
Product Description
Catalog Number:
AG000YHB
Chemical Name:
Bicyclo[5.3.1]undeca-1(11),7,9-triene, 11-methoxy-
CAS Number:
128902-03-4
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
InChI:
InChI=1S/C12H16O/c1-13-12-10-6-3-2-4-7-11(12)9-5-8-10/h5,8-9H,2-4,6-7H2,1H3
InChI Key:
PJTMLBMSONXNNZ-UHFFFAOYSA-N
SMILES:
COc1c2CCCCCc1ccc2
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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