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35202-54-1 | Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-
CAS No: 35202-54-1 Catalog No: AG00I6Z7 MDL No:MFCD01846132
Product Description
Catalog Number:
AG00I6Z7
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-
CAS Number:
35202-54-1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD01846132
IUPAC Name:
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
InChI:
InChI=1S/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3
InChI Key:
HJTHVTHXHHFXMJ-UHFFFAOYSA-N
SMILES:
N#CC1Cc2c1cc(c(c2)OC)OC
EC Number:
609-091-7
NSC Number:
154410
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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