Home Other Building Blocks 2-(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid

2-(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid

CAS No.:
1071814-38-4
Catalog Number:
AG01EK5V
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG01EK5V
Chemical Name:
2-(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid
CAS Number:
1071814-38-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD20660111
IUPAC Name:
2-(2,4-dimethylpyrazol-3-yl)acetic acid
InChI:
InChI=1S/C7H10N2O2/c1-5-4-8-9(2)6(5)3-7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChI Key:
BOQRPUJVMKCTLT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)cnn1C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties