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132080-49-0 | 2-Naphthalenenonanal, 1,4-dihydro-3-methyl-1,4-dioxo-
CAS No: 132080-49-0 Catalog No: AG001067 MDL No:
Product Description
Catalog Number:
AG001067
Chemical Name:
2-Naphthalenenonanal, 1,4-dihydro-3-methyl-1,4-dioxo-
CAS Number:
132080-49-0
Molecular Formula:
C20H24O3
Molecular Weight:
312.4028
IUPAC Name:
9-(3-methyl-1,4-dioxonaphthalen-2-yl)nonanal
InChI:
InChI=1S/C20H24O3/c1-15-16(11-7-5-3-2-4-6-10-14-21)20(23)18-13-9-8-12-17(18)19(15)22/h8-9,12-14H,2-7,10-11H2,1H3
InChI Key:
FCHVLFNTOGFLKK-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCC1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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