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113578-16-8 | Acetic acid, 2-[(8-formyl-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]-
CAS No: 113578-16-8 Catalog No: AG00090Z MDL No:
Product Description
Catalog Number:
AG00090Z
Chemical Name:
Acetic acid, 2-[(8-formyl-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]-
CAS Number:
113578-16-8
Molecular Formula:
C18H12O6
Molecular Weight:
324.2843
IUPAC Name:
2-(8-formyl-4-oxo-2-phenylchromen-7-yl)oxyacetic acid
InChI:
InChI=1S/C18H12O6/c19-9-13-15(23-10-17(21)22)7-6-12-14(20)8-16(24-18(12)13)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)
InChI Key:
XTIAGVZOGMITRC-UHFFFAOYSA-N
SMILES:
O=Cc1c(OCC(=O)O)ccc2c1oc(cc2=O)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.288g/mol
Monoisotopic Mass:
324.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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