AG003Q53

2531-80-8 | Ethyl 2-nitropropionate

AG003Q53

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CAS Number	2531-80-8
Catalog Number	AG003Q53(AGN-PC-0JM2SR)
Chemical Name	Ethyl 2-nitropropionate
IUPAC Name	ethyl 2-nitropropanoate
InChI	InChI=1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3
InChI Key	ZXBGJDZWJJFFQY-UHFFFAOYSA-N
MDL Number	MFCD00024818
Molecular Formula	C5H9NO4
Molecular Weight	147.1293
NSC Number	63896
SMILES	CC([N+]([O-])=O)C(OCC)=O
Synonyms	Ethyl 2-nitropropionate, 2531-80-8, ethyl 2-nitropropanoate, Propanoic acid, 2-nitro-, ethyl ester, Propionic acid, 2-nitro-, ethyl ester, ZXBGJDZWJJFFQY-UHFFFAOYSA-N, MFCD00024818, Ethyl alpha-nitropropionate, NSC 63896, ACMC-1CE4B, AC1L3ZM4, Ethyl .alpha.-nitropropionate, AC1Q63N5, Ethyl 2-nitropropionate, 96%, SCHEMBL1009673, CTK4F5466, 2-Nitropropionic acid ethyl ester, AC1Q3202, NSC63896, 8440AD, NSC-63896, AKOS015833357, Propanoicacid, 2-nitro-, ethyl ester, MCULE-4893495529, DB-046668, TR-011577, CS-0090455, FT-0613217, ST50410738, Y-9058, J-015932, I14-25647, Propanoic acid, ethyl ester, Propionic acid, ethyl ester, C5H9NO4, C5-H9-N-O4, CID97978, AR-1I8538, 25800-59-3,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.13g/mol
Monoisotopic Mass	147.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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