AG00277P

179692-09-2 | 1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester

AG00277P

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CAS Number	179692-09-2
Catalog Number	AG00277P(AGN-PC-0O533D)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester
IUPAC Name	ethyl 4-formyl-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C7H8N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3-4H,2H2,1H3,(H,8,9)
InChI Key	UEQLAZGHIUZUEO-UHFFFAOYSA-N
MDL Number	MFCD07643185
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	C(=O)C=1C(=NNC1)C(=O)OCC
Synonyms	ethyl 4-formyl-1H-pyrazole-3-carboxylate, 179692-09-2, ethyl 4-formyl-1H-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester, 4-Formyl-1H-pyrazole-3-carboxylic acid ethyl ester, UEQLAZGHIUZUEO-UHFFFAOYSA-N, ethyl 4-formylpyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylicacid, 4-formyl-, ethyl ester, AC1LEJAF, SCHEMBL1073562, SCHEMBL15112320, CTK4D7361, CTK6F5284, KS-00000IKA, DTXSID40351902, ALBB-007090, ZINC4453807, BBL018027, ethyl 4-formylpyrazole-5-carboxylate, MFCD07643185, STK504288, AKOS000558759, AKOS006278921, ethyl 4-formyl-pyrazole-3-carboxylate, AB42048, DS-8686, MCULE-7309492462, AK174291, BAS 08768170, DA-18053, ethyl 4-formyl-2H-pyrazole-3-carboxylate, SC-33619, AB0074055, AB1007582, ST4084166, TR-050435, BB 0258432, CS-0037733, FT-0729615, Y-0829, 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethyl ester, I14-33269, 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI), 2H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester, A3132/0132416, CID713076, ZINC04453807, ethyl 4-formyl-1h-pyrazol-3(5)-carboxylate,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.152g/mol
Monoisotopic Mass	168.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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