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15601-09-9 | 2-Heptanone, 1-(3,5-dihydroxyphenyl)-
CAS No: 15601-09-9 Catalog No: AG001OGP MDL No:
Product Description
Catalog Number:
AG001OGP
Chemical Name:
2-Heptanone, 1-(3,5-dihydroxyphenyl)-
CAS Number:
15601-09-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
1-(3,5-dihydroxyphenyl)heptan-2-one
InChI:
InChI=1S/C13H18O3/c1-2-3-4-5-11(14)6-10-7-12(15)9-13(16)8-10/h7-9,15-16H,2-6H2,1H3
InChI Key:
UYOAKZGQLBHUHR-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Cc1cc(O)cc(c1)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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