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89329-23-7 | 2H-1-Benzopyran-2-one, 3,4-dihydro-5,6,7-trimethoxy-4-phenyl-
CAS No: 89329-23-7 Catalog No: AG003YEQ MDL No:
Product Description
Catalog Number:
AG003YEQ
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-5,6,7-trimethoxy-4-phenyl-
CAS Number:
89329-23-7
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
IUPAC Name:
5,6,7-trimethoxy-4-phenyl-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C18H18O5/c1-20-14-10-13-16(18(22-3)17(14)21-2)12(9-15(19)23-13)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3
InChI Key:
OPGUYUJUYGJGDY-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(OC)cc2c1C(CC(=O)O2)c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.337g/mol
Monoisotopic Mass:
314.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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