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Home Carboxys 3-(5-Methylfuran-2-yl)-1H-pyrazole-5-carboxylic acid hydrate

3-(5-Methylfuran-2-yl)-1H-pyrazole-5-carboxylic acid hydrate

CAS No.:
1296274-68-4
Catalog Number:
AG00J11E
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
10g
95%
In Stock USA
United States
$187
- +
Product Description
Catalog Number:
AG00J11E
Chemical Name:
3-(5-Methylfuran-2-yl)-1H-pyrazole-5-carboxylic acid hydrate
CAS Number:
1296274-68-4
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD03030188
IUPAC Name:
5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid;hydrate
InChI:
InChI=1S/C9H8N2O3.H2O/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6;/h2-4H,1H3,(H,10,11)(H,12,13);1H2
InChI Key:
PRLJUINDAJWRSM-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)c1cc([nH]n1)C(=O)O.O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties