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1006959-18-7 | 2-Propenoic acid, 3-(1-methyl-1H-pyrazol-5-yl)-
CAS No: 1006959-18-7 Catalog No: AG0002N7 MDL No:MFCD08559038
Product Description
Catalog Number:
AG0002N7
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-pyrazol-5-yl)-
CAS Number:
1006959-18-7
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD08559038
IUPAC Name:
(E)-3-(2-methylpyrazol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c1-9-6(4-5-8-9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChI Key:
FLMCGVRZSZMFDQ-NSCUHMNNSA-N
SMILES:
Cn1nccc1C=CC(=O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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