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821783-29-3 | 2H-1-Benzopyran-2-one, 3-[[(3,4,5-trimethoxyphenyl)methylene]amino]-
CAS No: 821783-29-3 Catalog No: AG005ISM MDL No:
Product Description
Catalog Number:
AG005ISM
Chemical Name:
2H-1-Benzopyran-2-one, 3-[[(3,4,5-trimethoxyphenyl)methylene]amino]-
CAS Number:
821783-29-3
Molecular Formula:
C19H17NO5
Molecular Weight:
339.3420
IUPAC Name:
3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
InChI:
InChI=1S/C19H17NO5/c1-22-16-8-12(9-17(23-2)18(16)24-3)11-20-14-10-13-6-4-5-7-15(13)25-19(14)21/h4-11H,1-3H3
InChI Key:
ZAWRYGQEGVNMKW-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2cc3ccccc3oc2=O)cc(c1OC)OC
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.347g/mol
Monoisotopic Mass:
339.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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