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Home Carboxys 1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester

1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester

CAS No.:
6843-89-6
Catalog Number:
AG003Q0A
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$141
- +
1g
95%
In Stock USA
United States
$325
- +
5g
95%
In Stock USA
United States
$936
- +
Product Description
Catalog Number:
AG003Q0A
Chemical Name:
1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester
CAS Number:
6843-89-6
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
MDL Number:
MFCD00451682
IUPAC Name:
ethyl 1,3-dihydroxynaphthalene-2-carboxylate
InChI:
InChI=1S/C13H12O4/c1-2-17-13(16)11-10(14)7-8-5-3-4-6-9(8)12(11)15/h3-7,14-15H,2H2,1H3
InChI Key:
JNVQTZHEEIATCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)cc2c(c1O)cccc2
NSC Number:
68182
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties