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Home > Other Heterocycles > 88729-12-8
88729-12-8 | Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 3,6-dimethoxy-
CAS No: 88729-12-8 Catalog No: AG0045MA MDL No:
Product Description
Catalog Number:
AG0045MA
Chemical Name:
Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, 3,6-dimethoxy-
CAS Number:
88729-12-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
3,6-dimethoxybicyclo[4.2.0]octa-2,4-diene-7-carbonitrile
InChI:
InChI=1S/C11H13NO2/c1-13-10-3-4-11(14-2)8(6-10)5-9(11)7-12/h3-4,6,8-9H,5H2,1-2H3
InChI Key:
SZEINRUJTKLUFC-UHFFFAOYSA-N
SMILES:
N#CC1CC2C1(OC)C=CC(=C2)OC
NSC Number:
600572
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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