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17874-32-7 | 2H-1-Benzopyran-2-one, 6-(1,1-dimethylethyl)-4-methyl-
CAS No: 17874-32-7 Catalog No: AG00269V MDL No:MFCD00016968
Product Description
Catalog Number:
AG00269V
Chemical Name:
2H-1-Benzopyran-2-one, 6-(1,1-dimethylethyl)-4-methyl-
CAS Number:
17874-32-7
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
MDL Number:
MFCD00016968
IUPAC Name:
6-tert-butyl-4-methylchromen-2-one
InChI:
InChI=1S/C14H16O2/c1-9-7-13(15)16-12-6-5-10(8-11(9)12)14(2,3)4/h5-8H,1-4H3
InChI Key:
BVQZHRREUVIRFZ-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)ccc(c2)C(C)(C)C
NSC Number:
20774
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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