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17874-33-8 | 2H-1-Benzopyran-2-one, 6-(1,1-dimethylethyl)-4,8-dimethyl-
CAS No: 17874-33-8 Catalog No: AG00269U MDL No:
Product Description
Catalog Number:
AG00269U
Chemical Name:
2H-1-Benzopyran-2-one, 6-(1,1-dimethylethyl)-4,8-dimethyl-
CAS Number:
17874-33-8
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
6-tert-butyl-4,8-dimethylchromen-2-one
InChI:
InChI=1S/C15H18O2/c1-9-7-13(16)17-14-10(2)6-11(8-12(9)14)15(3,4)5/h6-8H,1-5H3
InChI Key:
BQCUNTCSOSCBOV-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)c(C)cc(c2)C(C)(C)C
NSC Number:
19535
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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