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207905-97-3 | 4H-1-Benzopyran-4-one, 2-[4-(1,1-dimethylethyl)phenyl]-5-hydroxy-
CAS No: 207905-97-3 Catalog No: AG002JCP MDL No:
Product Description
Catalog Number:
AG002JCP
Chemical Name:
4H-1-Benzopyran-4-one, 2-[4-(1,1-dimethylethyl)phenyl]-5-hydroxy-
CAS Number:
207905-97-3
Molecular Formula:
C19H18O3
Molecular Weight:
294.3444
IUPAC Name:
2-(4-tert-butylphenyl)-5-hydroxychromen-4-one
InChI:
InChI=1S/C19H18O3/c1-19(2,3)13-9-7-12(8-10-13)17-11-15(21)18-14(20)5-4-6-16(18)22-17/h4-11,20H,1-3H3
InChI Key:
VQLPXGFWMLPZMV-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1c(O)ccc2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.35g/mol
Monoisotopic Mass:
294.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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