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886501-40-2,MFCD06740122
Catalog No.:AA003HJS
886501-40-2 | 2-Methyl-3-morpholinobenzoic Acid
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5g
>97%
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$510.00
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Technical Information
Catalog Number:
AA003HJS
Chemical Name:
2-Methyl-3-morpholinobenzoic Acid
CAS Number:
886501-40-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD06740122
IUPAC Name:
2-methyl-3-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C12H15NO3/c1-9-10(12(14)15)3-2-4-11(9)13-5-7-16-8-6-13/h2-4H,5-8H2,1H3,(H,14,15)
InChI Key:
SYRWDAQJCORHSV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)N1CCOCC1
Properties
Computed Properties
 
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
2-Methyl-3-morpholinobenzoic Acid 
886501-40-2 
KS-00000CT8 
ZINC4245083 
1970AF 
MFCD06740122 
AKOS000302716 
MCULE-2379055718 
TRA0090054 
2-methyl-3-(morpholin-4-yl)benzoic acid 
AS-31726 
SY019631 
2-methyl-3-morpholin-4-yl-benzoic Acid 
TR-056217 
BB 0218063 
ST50530482 
Z-4547 
MFCD06740122 (97+%) 
C12H15NO3 
CID7148426 
N/A 
2-methyl-3-morpholin-4-ylbenzoic acid 
AC1OGGGK 
2-methyl-3-(4-morpholinyl)benzoic acid 
SCHEMBL672524 
CTK7I8804 
2-Methyl-3-morpholinobenzoicAcid 
SYRWDAQJCORHSV-UHFFFAOYSA-N 
Literature
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