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200814-17-1 | 2H-Pyrano[2,3-h]quinolin-2-one, 1,8-dihydro-8,8-dimethyl-
CAS No: 200814-17-1 Catalog No: AG002D1H MDL No:
Product Description
Catalog Number:
AG002D1H
Chemical Name:
2H-Pyrano[2,3-h]quinolin-2-one, 1,8-dihydro-8,8-dimethyl-
CAS Number:
200814-17-1
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
8,8-dimethyl-1H-pyrano[2,3-h]quinolin-2-one
InChI:
InChI=1S/C14H13NO2/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(16)15-13(9)10/h3-8H,1-2H3,(H,15,16)
InChI Key:
KRWYXVGRIHXUHX-UHFFFAOYSA-N
SMILES:
CC1(C)C=Cc2c(O1)ccc1c2[nH]c(=O)cc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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