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23067-79-0 | 4H-1-Benzopyran-4-one, 8-(1,1-dimethylethyl)-2,3-dihydro-
CAS No: 23067-79-0 Catalog No: AG002M3W MDL No:MFCD11207561
Product Description
Catalog Number:
AG002M3W
Chemical Name:
4H-1-Benzopyran-4-one, 8-(1,1-dimethylethyl)-2,3-dihydro-
CAS Number:
23067-79-0
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD11207561
IUPAC Name:
8-tert-butyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C13H16O2/c1-13(2,3)10-6-4-5-9-11(14)7-8-15-12(9)10/h4-6H,7-8H2,1-3H3
InChI Key:
RYISAMGVJMRICQ-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cccc2C(C)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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