AG0073FL

4033-88-9 | Dimethyl 2-(4-nitrophenyl)malonate

AG0073FL

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CAS Number	4033-88-9
Catalog Number	AG0073FL(AGN-PC-0KKQ54)
Chemical Name	Dimethyl 2-(4-nitrophenyl)malonate
IUPAC Name	dimethyl 2-(4-nitrophenyl)propanedioate
InChI	InChI=1S/C11H11NO6/c1-17-10(13)9(11(14)18-2)7-3-5-8(6-4-7)12(15)16/h3-6,9H,1-2H3
InChI Key	PYUABAXAUVLRNX-UHFFFAOYSA-N
MDL Number	MFCD03425806
Molecular Formula	C11H11NO6
Molecular Weight	253.2081
SMILES	O=C(OC)C(C1=CC=C([N+]([O-])=O)C=C1)C(OC)=O
Synonyms	dimethyl 2-(4-nitrophenyl)malonate, 4033-88-9, 2-(4-nitrophenyl)malonic acid dimethyl ester, dimethyl 2-(4-nitrophenyl)propanedioate, 1,3-dimethyl 2-(4-nitrophenyl)propanedioate, dimethyl 2-(4-nitrophenyl)propane-1,3-dioate, AC1MC9LJ, dimethyl(4-nitrophenyl)malonate, SCHEMBL3529478, CTK1D4640, Dimethyl (4-Nitrophenyl)malonate, DTXSID30377393, PYUABAXAUVLRNX-UHFFFAOYSA-N, ZINC170091, KS-00001ZW1, ZX-RL001128, 2690AE, MFCD03425806, SBB053744, AKOS005071161, ACM4033889, MCULE-6909769402, RP14384, AJ-17382, OR110186, TR-036723, CS-0061798, FT-0680590, ST50949695, X-2023, 7T-0054, Propanedioic acid, (4-nitrophenyl)-, dimethyl ester, I14-25684, C11H11NO6, ZINC00170091, CID2764303,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.059g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.21g/mol
Monoisotopic Mass	253.059g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	98.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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