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820209-52-7

820209-52-7 | Benzaldehyde, 3,4-dimethoxy-2-(2-oxo-2H-1-benzopyran-4-yl)-

CAS No: 820209-52-7 Catalog No: AG004YTV MDL No:

Product Description

Catalog Number:
AG004YTV
Chemical Name:
Benzaldehyde, 3,4-dimethoxy-2-(2-oxo-2H-1-benzopyran-4-yl)-
CAS Number:
820209-52-7
Molecular Formula:
C18H14O5
Molecular Weight:
310.3008
IUPAC Name:
3,4-dimethoxy-2-(2-oxochromen-4-yl)benzaldehyde
InChI:
InChI=1S/C18H14O5/c1-21-15-8-7-11(10-19)17(18(15)22-2)13-9-16(20)23-14-6-4-3-5-12(13)14/h3-10H,1-2H3
InChI Key:
DPLUODNKLYSCGA-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1c1cc(=O)oc2c1cccc2)C=O

Properties

Complexity:
486  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.084g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.305g/mol
Monoisotopic Mass:
310.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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