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288399-58-6 | 4H-1-Benzopyran-4-one, 6-(1-methylethyl)-
CAS No: 288399-58-6 Catalog No: AG002WQK MDL No:
Product Description
Catalog Number:
AG002WQK
Chemical Name:
4H-1-Benzopyran-4-one, 6-(1-methylethyl)-
CAS Number:
288399-58-6
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
6-propan-2-ylchromen-4-one
InChI:
InChI=1S/C12H12O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-8H,1-2H3
InChI Key:
JAOKDOBMLZKVKM-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(=O)cco2)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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