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14736-30-2 | 4H-1-Benzopyran-4-one, 2-ethyl-
CAS No: 14736-30-2 Catalog No: AG001EUP MDL No:
Product Description
Catalog Number:
AG001EUP
Chemical Name:
4H-1-Benzopyran-4-one, 2-ethyl-
CAS Number:
14736-30-2
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-ethylchromen-4-one
InChI:
InChI=1S/C11H10O2/c1-2-8-7-10(12)9-5-3-4-6-11(9)13-8/h3-7H,2H2,1H3
InChI Key:
KTVKQTNGWVJHFL-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)c2c(o1)cccc2
NSC Number:
71387
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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