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69916-09-2 | 1-Pentanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
CAS No: 69916-09-2 Catalog No: AG005H1U MDL No:
Product Description
Catalog Number:
AG005H1U
Chemical Name:
1-Pentanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
CAS Number:
69916-09-2
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]pentan-1-one
InChI:
InChI=1S/C16H22O4/c1-4-5-6-12(17)15-14(19)9-13(18)11(16(15)20)8-7-10(2)3/h7,9,18-20H,4-6,8H2,1-3H3
InChI Key:
OHANWLWEKRLVEA-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1c(O)cc(c(c1O)CC=C(C)C)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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