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130200-02-1 | 2H-1-Benzopyran-7-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-oxo-
CAS No: 130200-02-1 Catalog No: AG000U4J MDL No:MFCD15527100
Product Description
Catalog Number:
AG000U4J
Chemical Name:
2H-1-Benzopyran-7-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-oxo-
CAS Number:
130200-02-1
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD15527100
IUPAC Name:
2,2-dimethyl-4-oxo-3H-chromene-7-carbonitrile
InChI:
InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-4-3-8(7-13)5-11(9)15-12/h3-5H,6H2,1-2H3
InChI Key:
CDRFBUBCMVKJFC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)OC(CC2=O)(C)C
Properties
Complexity:
326
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:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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