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Home > Aldehydes > 827347-03-5
827347-03-5 | Benzaldehyde, 2-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-
CAS No: 827347-03-5 Catalog No: AG004UUN MDL No:
Product Description
Catalog Number:
AG004UUN
Chemical Name:
Benzaldehyde, 2-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-
CAS Number:
827347-03-5
Molecular Formula:
C18H12O3
Molecular Weight:
276.2861
IUPAC Name:
2-(3-methyl-1,4-dioxonaphthalen-2-yl)benzaldehyde
InChI:
InChI=1S/C18H12O3/c1-11-16(13-7-3-2-6-12(13)10-19)18(21)15-9-5-4-8-14(15)17(11)20/h2-10H,1H3
InChI Key:
KPVPSSZXFCFYQY-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.291g/mol
Monoisotopic Mass:
276.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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