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1365271-38-0 | 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6-ethyl-3-hydroxy-
CAS No: 1365271-38-0 Catalog No: AG0011ZB MDL No:MFCD21609686
Product Description
Catalog Number:
AG0011ZB
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6-ethyl-3-hydroxy-
CAS Number:
1365271-38-0
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
MDL Number:
MFCD21609686
IUPAC Name:
2-(3,4-dimethoxyphenyl)-6-ethyl-3-hydroxychromen-4-one
InChI:
InChI=1S/C19H18O5/c1-4-11-5-7-14-13(9-11)17(20)18(21)19(24-14)12-6-8-15(22-2)16(10-12)23-3/h5-10,21H,4H2,1-3H3
InChI Key:
YKHMBQJWXCDRGE-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(=O)c(c(o2)c1ccc(c(c1)OC)OC)O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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