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101994-23-4 | 2H-1-Benzopyran-6-carbonitrile, 7-hydroxy-4,8-dimethyl-2-oxo-
CAS No: 101994-23-4 Catalog No: AG00067L MDL No:
Product Description
Catalog Number:
AG00067L
Chemical Name:
2H-1-Benzopyran-6-carbonitrile, 7-hydroxy-4,8-dimethyl-2-oxo-
CAS Number:
101994-23-4
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
7-hydroxy-4,8-dimethyl-2-oxochromene-6-carbonitrile
InChI:
InChI=1S/C12H9NO3/c1-6-3-10(14)16-12-7(2)11(15)8(5-13)4-9(6)12/h3-4,15H,1-2H3
InChI Key:
XAZQZKKQXOIMAO-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(C)cc(=O)oc2c(c1O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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