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Home Other Building Blocks 2-(3-Methyl-1h-pyrazol-1-yl)succinic acid

2-(3-Methyl-1h-pyrazol-1-yl)succinic acid

CAS No.:
180741-28-0
Catalog Number:
AG0022AI
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG0022AI
Chemical Name:
2-(3-Methyl-1h-pyrazol-1-yl)succinic acid
CAS Number:
180741-28-0
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
MDL Number:
MFCD03194396
IUPAC Name:
2-(3-methylpyrazol-1-yl)butanedioic acid
InChI:
InChI=1S/C8H10N2O4/c1-5-2-3-10(9-5)6(8(13)14)4-7(11)12/h2-3,6H,4H2,1H3,(H,11,12)(H,13,14)
InChI Key:
XMOYXMGSBMYOFG-UHFFFAOYSA-N
SMILES:
Cc1ccn(n1)C(C(=O)O)CC(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties