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13672-47-4 | 1-Naphthaleneheptanoic acid, ζ-oxo-
CAS No: 13672-47-4 Catalog No: AG0012A8 MDL No:
Product Description
Catalog Number:
AG0012A8
Chemical Name:
1-Naphthaleneheptanoic acid, ζ-oxo-
CAS Number:
13672-47-4
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
7-naphthalen-1-yl-7-oxoheptanoic acid
InChI:
InChI=1S/C17H18O3/c18-16(11-2-1-3-12-17(19)20)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,1-3,11-12H2,(H,19,20)
InChI Key:
YMKQDKZJQJMEFL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC(=O)c1cccc2c1cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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