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113850-94-5 | 4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-, ethyl ester
CAS No: 113850-94-5 Catalog No: AG0009WR MDL No:
Product Description
Catalog Number:
AG0009WR
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-, ethyl ester
CAS Number:
113850-94-5
Molecular Formula:
C12H9ClO4
Molecular Weight:
252.6505
IUPAC Name:
ethyl 7-chloro-4-oxochromene-2-carboxylate
InChI:
InChI=1S/C12H9ClO4/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6H,2H2,1H3
InChI Key:
ASLMVPADVVVCAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)c2c(o1)cc(cc2)Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.65g/mol
Monoisotopic Mass:
252.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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