Home Other Building Blocks 3-Acetoxy-2-naphthoic acid

3-Acetoxy-2-naphthoic acid

CAS No.:
5464-07-3
Catalog Number:
AG00DK73
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DK73
Chemical Name:
3-Acetoxy-2-naphthoic acid
CAS Number:
5464-07-3
MDL Number:
MFCD00444510
IUPAC Name:
3-acetyloxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H10O4/c1-8(14)17-12-7-10-5-3-2-4-9(10)6-11(12)13(15)16/h2-7H,1H3,(H,15,16)
InChI Key:
DXBBERBOYNPPLM-UHFFFAOYSA-N
NSC Number:
29063
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Importance of equilibrium fluctuations between most stable conformers in the control of the reaction mechanism. The Journal of organic chemistry 20101105
3-Acet-oxy-2-naphthoic acid. Acta crystallographica. Section E, Structure reports online 20101101
Properties