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14670-48-5 | 2H-1-Benzopyran-6-ol, 7-(1,1-dimethylethyl)-3,4-dihydro-2,2,4-trimethyl-
CAS No: 14670-48-5 Catalog No: AG001E96 MDL No:
Product Description
Catalog Number:
AG001E96
Chemical Name:
2H-1-Benzopyran-6-ol, 7-(1,1-dimethylethyl)-3,4-dihydro-2,2,4-trimethyl-
CAS Number:
14670-48-5
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
IUPAC Name:
7-tert-butyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
InChI:
InChI=1S/C16H24O2/c1-10-9-16(5,6)18-14-8-12(15(2,3)4)13(17)7-11(10)14/h7-8,10,17H,9H2,1-6H3
InChI Key:
IFJNFWJTPMJATL-UHFFFAOYSA-N
SMILES:
CC1CC(C)(C)Oc2c1cc(O)c(c2)C(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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