Home Carbonyls [4-(methoxycarbonyl)-1H-pyrazol-1-yl]acetic acid

[4-(methoxycarbonyl)-1H-pyrazol-1-yl]acetic acid

CAS No.:
1006348-69-1
Catalog Number:
AG00JEWA
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
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Product Description
Catalog Number:
AG00JEWA
Chemical Name:
[4-(methoxycarbonyl)-1H-pyrazol-1-yl]acetic acid
CAS Number:
1006348-69-1
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD06805387
IUPAC Name:
2-(4-methoxycarbonylpyrazol-1-yl)acetic acid
InChI:
InChI=1S/C7H8N2O4/c1-13-7(12)5-2-8-9(3-5)4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChI Key:
UEOSRBCHENJRND-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(nc1)CC(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties