Home Other Building Blocks 1006959-18-7
1006959-18-7,MFCD08559038
Catalog No.:AA0002KF
1006959-18-7 | (2-Methyl-2H-pyrazol-3-yl)acrylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$258.00   $180.00
- +
10g
98%
in stock  
$445.00   $312.00
- +
25g
98%
in stock  
$762.00   $534.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0002KF
Chemical Name:
(2-Methyl-2H-pyrazol-3-yl)acrylic acid
CAS Number:
1006959-18-7
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD08559038
IUPAC Name:
(E)-3-(2-methylpyrazol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c1-9-6(4-5-8-9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChI Key:
FLMCGVRZSZMFDQ-NSCUHMNNSA-N
SMILES:
Cn1nccc1C=CC(=O)O
Properties
Computed Properties
 
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
3-(1-Methyl-1H-pyrazol-5-yl)acrylic acid 
(2E)-3-(1-methyl-1H-pyrazol-5-yl)acrylic acid 
SCHEMBL6133207 
FLMCGVRZSZMFDQ-NSCUHMNNSA-N 
MFCD08559038 
SBB024520 
STK351493 
ZINC12395557 
AKOS000319184 
AKOS023502317 
AM90002 
AJ-62042 
1006959-18-7 
ST45123308 
EN300-31479 
K-0186 
(e)-3-(1-methyl-1h-pyrazol-5-yl)acrylic acid 
(2-Methyl-2H-pyrazol-3-yl)acrylic acid 
(2E)-3-(1-methyl-1H-pyrazol-5-yl)prop-2-enoic acid 
(2E)-3-(1-methylpyrazol-5-yl)prop-2-enoic acid 
3-(2-Methyl-2H-pyrazol-3-yl)-acrylic acid 
(E)-3-(2-methylpyrazol-3-yl)prop-2-enoic acid 
2-Propenoic acid, 3-(1-methyl-1H-pyrazol-5-yl)- 
AC1Q40EH 
SCHEMBL6133206 
Literature
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