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130817-80-0 | 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-nonyl-
CAS No: 130817-80-0 Catalog No: AG000UZP MDL No:
Product Description
Catalog Number:
AG000UZP
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-nonyl-
CAS Number:
130817-80-0
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
2-methoxy-6-nonylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C16H24O3/c1-3-4-5-6-7-8-9-10-13-11-14(17)12-15(19-2)16(13)18/h11-12H,3-10H2,1-2H3
InChI Key:
PJRTVHREUOBDFM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1=CC(=O)C=C(C1=O)OC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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