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Home Aminos Benzoic acid, 4-(dimethylamino)-2-hydroxy-, methyl ester

Benzoic acid, 4-(dimethylamino)-2-hydroxy-, methyl ester

CAS No.:
27559-59-7
Catalog Number:
AG002U1Z
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
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Product Description
Catalog Number:
AG002U1Z
Chemical Name:
Benzoic acid, 4-(dimethylamino)-2-hydroxy-, methyl ester
CAS Number:
27559-59-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD24713563
IUPAC Name:
methyl 4-(dimethylamino)-2-hydroxybenzoate
InChI:
InChI=1S/C10H13NO3/c1-11(2)7-4-5-8(9(12)6-7)10(13)14-3/h4-6,12H,1-3H3
InChI Key:
RHFNNYRLZPAKCV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1O)N(C)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Effect of α- and β-cyclodextrins on the intramolecular charge transfer and intramolecular proton transfer fluorescence of methyl o-hydroxy p-dimethylaminobenzoate. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701
Properties