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307546-48-1 | 2H-1-Benzopyran-2-one, 4-ethyl-7-(2-oxopropoxy)-
CAS No: 307546-48-1 Catalog No: AG003165 MDL No:MFCD02080208
Product Description
Catalog Number:
AG003165
Chemical Name:
2H-1-Benzopyran-2-one, 4-ethyl-7-(2-oxopropoxy)-
CAS Number:
307546-48-1
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
MDL Number:
MFCD02080208
IUPAC Name:
4-ethyl-7-(2-oxopropoxy)chromen-2-one
InChI:
InChI=1S/C14H14O4/c1-3-10-6-14(16)18-13-7-11(4-5-12(10)13)17-8-9(2)15/h4-7H,3,8H2,1-2H3
InChI Key:
APFOUMJDLIKXAW-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)oc2c1ccc(c2)OCC(=O)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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