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100449-12-5 | 1H-Indene-3-carbonitrile, 6,7-dimethoxy-
CAS No: 100449-12-5 Catalog No: AG0001ZZ MDL No:
Product Description
Catalog Number:
AG0001ZZ
Chemical Name:
1H-Indene-3-carbonitrile, 6,7-dimethoxy-
CAS Number:
100449-12-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
4,5-dimethoxy-3H-indene-1-carbonitrile
InChI:
InChI=1S/C12H11NO2/c1-14-11-6-5-9-8(7-13)3-4-10(9)12(11)15-2/h3,5-6H,4H2,1-2H3
InChI Key:
DJLQBIUYIIZEEC-UHFFFAOYSA-N
SMILES:
N#CC1=CCc2c1ccc(c2OC)OC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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