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890625-93-1 | 3-(3,5-Dimethyl-1H-pyrazol-4-yl);propanoic acid
CAS No: 890625-93-1 Catalog No: AG0040S8 MDL No:MFCD03030172
Product Description
Catalog Number:
AG0040S8
Chemical Name:
3-(3,5-Dimethyl-1H-pyrazol-4-yl);propanoic acid
CAS Number:
890625-93-1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD03030172
IUPAC Name:
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
InChI:
InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
NKTYLFMWIMKAKT-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)n[nH]c1C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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