Home Amines 54057-68-0
54057-68-0,MFCD02744866
Catalog No.:AA003IOU
54057-68-0 | 3-[(Cyclopropylcarbonyl)amino]benzoic acid
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Purity
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100mg
95%
in stock  
$43.00   $30.00
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250mg
95%
in stock  
$80.00   $56.00
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1g
95%
in stock  
$160.00   $112.00
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5g
95%
in stock  
$479.00   $335.00
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Technical Information
Catalog Number:
AA003IOU
Chemical Name:
3-[(Cyclopropylcarbonyl)amino]benzoic acid
CAS Number:
54057-68-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD02744866
IUPAC Name:
3-(cyclopropanecarbonylamino)benzoic acid
InChI:
InChI=1S/C11H11NO3/c13-10(7-4-5-7)12-9-3-1-2-8(6-9)11(14)15/h1-3,6-7H,4-5H2,(H,12,13)(H,14,15)
InChI Key:
KOKPIRATDLRXGI-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Nc1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.073893g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.21g/mol
Monoisotopic Mass:
205.073893g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-[(cyclopropylcarbonyl)amino]benzoic acid 
54057-68-0 
5751AJ 
BBL005994 
STK324699 
AKOS000122894 
MCULE-7044891692 
TRA0091955 
AM804020 
SY014978 
AB0063144 
DB-071782 
3-(Cyclopropanecarboxamido)benzoic acid 
TC-307303 
CS-0035952 
FT-0722778 
EN300-18553 
K-9771 
MFCD02744866 (95+%) 
AG-690/40820299 
Z85878070 
AC1LFFXO 
AC1Q731U 
3-cyclopropaneamidobenzoic acid 
C11H11NO3 
CID777431 
BAS 03159849 
AJ-18656 
3-(Cyclopropanecarbonyl-amino)-benzoic acid 
843663-18-3 
3-(cyclopropanecarbonylamino)benzoic acid 
Oprea1_839879 
SCHEMBL20608480 
CTK7F6205 
ZINC268035 
KS-00001AA5 
Literature
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