AG0057B6

796845-56-2 | 3-(1-Methyl-1H-pyrazol-4-yl)propanoic acid

AG0057B6

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CAS Number	796845-56-2
Catalog Number	AG0057B6(AGN-PC-0LW7RY)
Chemical Name	3-(1-Methyl-1H-pyrazol-4-yl)propanoic acid
IUPAC Name	3-(1-methylpyrazol-4-yl)propanoic acid
InChI	InChI=1S/C7H10N2O2/c1-9-5-6(4-8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key	ZTSFRVGFCBTSDZ-UHFFFAOYSA-N
MDL Number	MFCD04969921
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	N1=CC(=CN1C)CCC(O)=O
Synonyms	3-(1-methyl-1H-pyrazol-4-yl)propanoic acid, 796845-56-2, 3-(1-methylpyrazol-4-yl)propanoic Acid, 1H-Pyrazole-4-propanoic acid, 1-methyl-, 3-(1-Methyl-1H-pyrazol-4-yl)-propionic acid, AC1Q3YTO, SCHEMBL4414182, CTK5E7012, DTXSID80426901, ALBB-014916, ZINC2537712, 9864AE, KM1987, MFCD04969921, SBB022169, STK312881, AKOS000262762, MCULE-1627544656, KS-00001A74, AJ-38721, AM804362, AB0174696, DB-028766, TR-055815, FT-0760017, ST45092025, EN300-51411, 3-(1-METHYL-1 H-PYRAZOL-4-YL)-PROPIONIC ACID, F2169-0848, Z744593036, C7H10N2O2, CID7017681,

Complexity	149
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	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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