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88538-38-9 | 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,2,9-trimethyl-
CAS No: 88538-38-9 Catalog No: AG00456E MDL No:
Product Description
Catalog Number:
AG00456E
Chemical Name:
2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,2,9-trimethyl-
CAS Number:
88538-38-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
2,2,9-trimethylpyrano[3,2-c]chromen-5-one
InChI:
InChI=1S/C15H14O3/c1-9-4-5-12-11(8-9)13-10(14(16)17-12)6-7-15(2,3)18-13/h4-8H,1-3H3
InChI Key:
JCHRVSYGNPJSFP-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c1OC(C)(C)C=Cc1c(=O)o2
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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