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16294-60-3 | 5-Acenaphthylenebutanoic acid, 1,2-dihydro-γ-oxo-
CAS No: 16294-60-3 Catalog No: AG001TK1 MDL No:
Product Description
Catalog Number:
AG001TK1
Chemical Name:
5-Acenaphthylenebutanoic acid, 1,2-dihydro-γ-oxo-
CAS Number:
16294-60-3
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C16H14O3/c17-14(8-9-15(18)19)12-7-6-11-5-4-10-2-1-3-13(12)16(10)11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChI Key:
RCYQMZNDPNZBNL-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc2c3c1cccc3CC2
NSC Number:
97287
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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