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88538-39-0 | 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,2,8-trimethyl-
CAS No: 88538-39-0 Catalog No: AG00456D MDL No:
Product Description
Catalog Number:
AG00456D
Chemical Name:
2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,2,8-trimethyl-
CAS Number:
88538-39-0
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
2,2,8-trimethylpyrano[3,2-c]chromen-5-one
InChI:
InChI=1S/C15H14O3/c1-9-4-5-10-12(8-9)17-14(16)11-6-7-15(2,3)18-13(10)11/h4-8H,1-3H3
InChI Key:
WJDWXVZIKZBEIK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(=O)c1c2OC(C)(C)C=C1
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:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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