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799262-07-0 | 2H-1-Benzopyran-2-one, 4-hydroxy-6,8-bis(1-methylethyl)-
CAS No: 799262-07-0 Catalog No: AG005F6I MDL No:
Product Description
Catalog Number:
AG005F6I
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-6,8-bis(1-methylethyl)-
CAS Number:
799262-07-0
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
4-hydroxy-6,8-di(propan-2-yl)chromen-2-one
InChI:
InChI=1S/C15H18O3/c1-8(2)10-5-11(9(3)4)15-12(6-10)13(16)7-14(17)18-15/h5-9,16H,1-4H3
InChI Key:
MQHRSWPKMHEKNP-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(o1)c(cc(c2)C(C)C)C(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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