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138779-63-2 | 2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4-dihydro-3,3-dimethyl-
CAS No: 138779-63-2 Catalog No: AG0019JC MDL No:
Product Description
Catalog Number:
AG0019JC
Chemical Name:
2H-Naphtho[2,3-b]pyran-5,10-dione, 3,4-dihydro-3,3-dimethyl-
CAS Number:
138779-63-2
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
3,3-dimethyl-2,4-dihydrobenzo[g]chromene-5,10-dione
InChI:
InChI=1S/C15H14O3/c1-15(2)7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-8-15/h3-6H,7-8H2,1-2H3
InChI Key:
ULXYWPKYMYLJBG-UHFFFAOYSA-N
SMILES:
O=C1C2=C(OCC(C2)(C)C)C(=O)c2c1cccc2
UNII:
U0UD40MVH3
NSC Number:
662425
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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