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189057-82-7 | 1-Naphthalenebutanoic acid, β-oxo-, ethyl ester
CAS No: 189057-82-7 Catalog No: AG002HSP MDL No:MFCD03844428
Product Description
Catalog Number:
AG002HSP
Chemical Name:
1-Naphthalenebutanoic acid, β-oxo-, ethyl ester
CAS Number:
189057-82-7
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD03844428
IUPAC Name:
ethyl 4-naphthalen-1-yl-3-oxobutanoate
InChI:
InChI=1S/C16H16O3/c1-2-19-16(18)11-14(17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9H,2,10-11H2,1H3
InChI Key:
ALDWRUPLOQNVTC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1cccc2c1cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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