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132104-10-0 | 2-Naphthalenehexanoic acid, ε-oxo-
CAS No: 132104-10-0 Catalog No: AG001080 MDL No:
Product Description
Catalog Number:
AG001080
Chemical Name:
2-Naphthalenehexanoic acid, ε-oxo-
CAS Number:
132104-10-0
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
6-naphthalen-2-yl-6-oxohexanoic acid
InChI:
InChI=1S/C16H16O3/c17-15(7-3-4-8-16(18)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19)
InChI Key:
GMYDEGVDEPRTQI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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