Home Nitros 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid

3-(4-nitro-1H-pyrazol-1-yl)propanoic acid

CAS No.:
512810-21-8
Catalog Number:
AG00JDAL
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
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Product Description
Catalog Number:
AG00JDAL
Chemical Name:
3-(4-nitro-1H-pyrazol-1-yl)propanoic acid
CAS Number:
512810-21-8
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD03074554
IUPAC Name:
3-(4-nitropyrazol-1-yl)propanoic acid
InChI:
InChI=1S/C6H7N3O4/c10-6(11)1-2-8-4-5(3-7-8)9(12)13/h3-4H,1-2H2,(H,10,11)
InChI Key:
DRVNKZUIVXMXHJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties