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144691-29-2 | 2H-1-Benzopyran-2-one, 3-(2-oxopropoxy)-
CAS No: 144691-29-2 Catalog No: AG001K05 MDL No:
Product Description
Catalog Number:
AG001K05
Chemical Name:
2H-1-Benzopyran-2-one, 3-(2-oxopropoxy)-
CAS Number:
144691-29-2
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
3-(2-oxopropoxy)chromen-2-one
InChI:
InChI=1S/C12H10O4/c1-8(13)7-15-11-6-9-4-2-3-5-10(9)16-12(11)14/h2-6H,7H2,1H3
InChI Key:
WAQBVPWBRHLGPC-UHFFFAOYSA-N
SMILES:
CC(=O)COc1cc2ccccc2oc1=O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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