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137676-07-4 | Acetic acid, (2-oxonaphtho[1,2-b]furan-3(2H)-ylidene)-, ethyl ester, (E)- (9CI)
CAS No: 137676-07-4 Catalog No: AG0013PZ MDL No:
Product Description
Catalog Number:
AG0013PZ
Chemical Name:
Acetic acid, (2-oxonaphtho[1,2-b]furan-3(2H)-ylidene)-, ethyl ester, (E)- (9CI)
CAS Number:
137676-07-4
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
ethyl 2-(2-oxobenzo[g][1]benzofuran-3-ylidene)acetate
InChI:
InChI=1S/C16H12O4/c1-2-19-14(17)9-13-12-8-7-10-5-3-4-6-11(10)15(12)20-16(13)18/h3-9H,2H2,1H3
InChI Key:
JEYBAAVYCAKQNR-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C\1/C(=O)Oc2c1ccc1c2cccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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