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16275-31-3 | 1,4-Naphthalenedione, 2-(7-cyclohexylheptyl)-3-hydroxy-
CAS No: 16275-31-3 Catalog No: AG001TEM MDL No:
Product Description
Catalog Number:
AG001TEM
Chemical Name:
1,4-Naphthalenedione, 2-(7-cyclohexylheptyl)-3-hydroxy-
CAS Number:
16275-31-3
Molecular Formula:
C23H30O3
Molecular Weight:
354.4825
IUPAC Name:
3-(7-cyclohexylheptyl)-4-hydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C23H30O3/c24-21-18-14-9-10-15-19(18)22(25)23(26)20(21)16-8-3-1-2-5-11-17-12-6-4-7-13-17/h9-10,14-15,17,24H,1-8,11-13,16H2
InChI Key:
ZBTRLKRXGYNHGP-UHFFFAOYSA-N
SMILES:
O=C1C(=C(CCCCCCCC2CCCCC2)C(=O)c2c1cccc2)O
NSC Number:
103335
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.219g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.49g/mol
Monoisotopic Mass:
354.219g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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