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Home > Other Heterocycles > 1199-31-1
1199-31-1 | Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 4-methoxy-
CAS No: 1199-31-1 Catalog No: AG000PV0 MDL No:
Product Description
Catalog Number:
AG000PV0
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 4-methoxy-
CAS Number:
1199-31-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
InChI:
InChI=1S/C10H9NO/c1-12-9-3-2-7-4-8(6-11)10(7)5-9/h2-3,5,8H,4H2,1H3
InChI Key:
DQCTUNOBJMHLHP-UHFFFAOYSA-N
SMILES:
N#CC1Cc2c1cc(cc2)OC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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