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101724-84-9,MFCD01006384
Catalog No.:AA00058Y
101724-84-9 | 2-Pivalamidobenzoic acid
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1g
95%
in stock  
$112.00   $78.00
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5g
95%
in stock  
$326.00   $228.00
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Technical Information
Catalog Number:
AA00058Y
Chemical Name:
2-Pivalamidobenzoic acid
CAS Number:
101724-84-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01006384
IUPAC Name:
2-(2,2-dimethylpropanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChI Key:
PGCLHEDGEGINOE-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
281  
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:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
101724-84-9 
2-(2,2-dimethylpropanamido)benzoic acid 
BBL002086 
MFCD01006384 
STK520517 
ZINC11639040 
AKOS000125651 
JS-2981 
MCULE-6078407447 
KS-0000275Y 
AJ-59961 
SC-57478 
2-[(2,2-dimethylpropanoyl)amino]benzoic acid 
FT-0715157 
EN300-56220 
W-7789 
Benzoic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]- 
Z85878883 
BENZOIC ACID,2-[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]- 
2-[(2,2-dimethyl-1-oxopropyl)amino]Benzoic acid 
2-Pivalamidobenzoic acid 
AC1Q1LMG 
2-(Pivaloylamino)benzoic acid 
SCHEMBL3994998 
CTK4A0159 
DTXSID00500030 
PGCLHEDGEGINOE-UHFFFAOYSA-N 
Literature
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