Home Nitro Compounds 64152-09-6
64152-09-6,MFCD09026978
Catalog No.:AA003I5R
64152-09-6 | 3-(Methoxycarbonyl)-4-nitrobenzoic acid
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Purity
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1g
98%
in stock  
$115.00   $80.00
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5g
98%
in stock  
$381.00   $267.00
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10g
98%
in stock  
$691.00   $484.00
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25g
98%
in stock  
$1,350.00   $945.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003I5R
Chemical Name:
3-(Methoxycarbonyl)-4-nitrobenzoic acid
CAS Number:
64152-09-6
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD09026978
IUPAC Name:
3-methoxycarbonyl-4-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
KRACQAXEQJJYLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Properties
Computed Properties
 
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-(Methoxycarbonyl)-4-nitrobenzoic Acid 
64152-09-6 
9822AB 
ANW-56664 
MFCD09026978 
ZINC14985763 
AKOS015904492 
3-(methoxycarbonyl)-4-nitrobenzoicacid 
3-methoxycarbonyl-4-nitro-benzoic acid 
AC-7341 
AN-9088 
QC-2879 
3-methoxycarbonyl-4-nitrobenzoic acid 
TRA0073464 
AJ-66422 
AK-82520 
AS-31166 
SC-37818 
SY005792 
AB0058248 
AX8099410 
TX-017077 
FT-0690082 
4-Nitro-3-methoxylcarbonyl benzoic acid 
A24306 
W-2934 
MFCD09026978 (97+%) 
I14-17419 
1,3-Benzenedicarboxylicacid, 4-nitro-, 3-methyl ester 
C9H7NO6 
4-NITRO-3-METHOXYLCARBONYLBENZOICACID 
PubChem22935 
SCHEMBL2722165 
CTK5C0824 
DTXSID10493227 
KRACQAXEQJJYLE-UHFFFAOYSA-N 
KS-00000CH6 
Literature
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