AG003AG5

1177318-00-1 | (1-Methyl-1h-pyrazol-3-yl)acetic acid

AG003AG5

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CAS Number	1177318-00-1
Catalog Number	AG003AG5(AGN-PC-0WAJDB)
Chemical Name	(1-Methyl-1h-pyrazol-3-yl)acetic acid
IUPAC Name	2-(1-methylpyrazol-3-yl)acetic acid
InChI	InChI=1S/C6H8N2O2/c1-8-3-2-5(7-8)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChI Key	ZRHVPSJSUOYNOY-UHFFFAOYSA-N
MDL Number	MFCD12028051
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	CN1N=C(C=C1)CC(=O)O
Synonyms	(1-methyl-1H-pyrazol-3-yl)acetic acid, 1177318-00-1, 2-(1-methyl-1H-pyrazol-3-yl)acetic acid, 2-(1-methylpyrazol-3-yl)acetic acid, SCHEMBL16156123, CTK6I2460, (1-methylpyrazol-3-yl)acetic acid, ALBB-008656, KS-00001A6V, 1-Methyl-1H-pyrazole-3-acetic acid, 9997AC, BBL104425, MFCD12028051, SBB049500, STL415654, ZINC34927098, AKOS005169382, MCULE-3475757844, NE26044, SB21942, (1-Methyl-1H-pyrazole-3-yl)acetic acid, BS-13342, TR-060704, BB 0251966, CS-0037801, ST45055160, EN300-92442, (1-Methyl-1H-pyrazol-3-yl)acetic acid, AldrichCPR, Z1815156932, C6H8N2O2, N/A,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

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