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88484-58-6 | Acetic acid, [(7-chloro-2-oxo-2H-1-benzopyran-4-yl)oxy]-, ethyl ester
CAS No: 88484-58-6 Catalog No: AG0049HZ MDL No:
Product Description
Catalog Number:
AG0049HZ
Chemical Name:
Acetic acid, [(7-chloro-2-oxo-2H-1-benzopyran-4-yl)oxy]-, ethyl ester
CAS Number:
88484-58-6
Molecular Formula:
C13H11ClO5
Molecular Weight:
282.6764
IUPAC Name:
ethyl 2-(7-chloro-2-oxochromen-4-yl)oxyacetate
InChI:
InChI=1S/C13H11ClO5/c1-2-17-13(16)7-18-10-6-12(15)19-11-5-8(14)3-4-9(10)11/h3-6H,2,7H2,1H3
InChI Key:
ZVEOGFFIYQNPEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(=O)oc2c1ccc(c2)Cl
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.676g/mol
Monoisotopic Mass:
282.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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