AG00D8BS

5437-67-2 | Dimethyl nitromalonate

AG00D8BS

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CAS Number	5437-67-2
Catalog Number	AG00D8BS(AGN-PC-0JO5WO)
Chemical Name	Dimethyl nitromalonate
IUPAC Name	dimethyl 2-nitropropanedioate
InChI	InChI=1S/C5H7NO6/c1-11-4(7)3(6(9)10)5(8)12-2/h3H,1-2H3
InChI Key	GLKRAUOJZYHDSB-UHFFFAOYSA-N
MDL Number	MFCD00010228
Molecular Formula	C5H7NO6
Molecular Weight	177.1122
NSC Number	16174
SMILES	O=C(OC)C([N+]([O-])=O)C(OC)=O
Synonyms	Dimethyl nitromalonate, Dimethyl 2-nitromalonate, 5437-67-2, dimethyl 2-nitropropanedioate, GLKRAUOJZYHDSB-UHFFFAOYSA-N, Propanedioic acid, nitro-, dimethyl ester, Propanedioic acid,2-nitro-, 1,3-dimethyl ester, Dimethylnitromalonate, PubChem22698, AC1L5EI8, AC1Q5YQ4, Dimethyl 2-nitromalonate #, C5H7NO6, SCHEMBL405746, CTK5A0736, GLKRAUOJZYHDSB-UHFFFAOYSA-, DTXSID00280264, 1,3-dimethyl 2-nitropropanedioate, KS-000010OG, NSC16174, ZINC1733885, MFCD00010228, NSC-16174, AKOS006230676, LS41886, VZ31917, BC681110, CC-26976, SC-49065, DB-007434, AM20080886, CS-0061797, FT-0600671, ST24046607, TL80073468, M-2673, 437D672, C-06235, Propanedioic acid, 2-nitro-, 1,3-dimethyl ester, I14-53712, InChI=1/C5H7NO6/c1-11-4(7)3(6(9)10)5(8)12-2/h3H,1-2H3, 2-Nitro-m-toluic acid, AR-1I5689, CID226085, 6298-51-7,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.112g/mol
Monoisotopic Mass	177.027g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	98.4A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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