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3562-99-0 | Menbutone
CAS No: 3562-99-0 Catalog No: AG003I4N MDL No:MFCD00021539
Product Description
Catalog Number:
AG003I4N
Chemical Name:
Menbutone
CAS Number:
3562-99-0
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD00021539
IUPAC Name:
4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)
InChI Key:
FHGJSJFIQNQBCK-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1cccc2)C(=O)CCC(=O)O
UNII:
341YM32546
NSC Number:
53969
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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