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6773-29-1

Basic Information
CAS No.: 6773-29-1
Name: bis(methoxycarbonyl)methylidene-imino-azanium
Article Data: 91
Molecular Structure:
Molecular Structure of 6773-29-1 (bis(methoxycarbonyl)methylidene-imino-azanium)
Formula: C5H6N2O4
Molecular Weight: 158.114
Synonyms: Malonicacid, diazo-, dimethyl ester (7CI,8CI);Propanedioic acid, diazo-, dimethylester (9CI);Bis(methoxycarbonyl)diazomethane;Diazodimethylmalonate;Diazomalonic acid dimethyl ester;Diazomalonic acid methyl ester;Diazopropanedioic acid dimethyl ester;Dicarbomethoxydiazomethane;Dimethyl2-diazomalonate;Dimethyl diazomalonate;Methyl diazomalonate;NSC 138651;
Boiling Point: 50-52 °C(Press: 1 Torr)
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Specification

The cas register number of Dimethyl 2-diazomalonate is 6773-29-1. It also can be called as 2-Diazopropanedioic acid 1,3-dimethyl ester and the IUPAC Name about this chemical is 2-diazonio-1,3-dimethoxy-3-oxoprop-1-en-1-olate.

Physical properties about Dimethyl 2-diazomalonate are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)XLogP3-AA: 1.7; (5)H-Bond Acceptor: 5; (6)Rotatable Bond Count: 3; (7)Exact Mass: 158.032757; (8)MonoIsotopic Mass: 158.032757; (9)Topological Polar Surface Area: 86.7; (10)Heavy Atom Count: 11; (11)Complexity: 219; (12)Undefined Bond StereoCenter Count: 1; (13)Covalently-Bonded Unit Count 1; (14)Polar Surface Area: 83.91Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: N#[N+]C(C(=O)OC)=C([O-])OC
(2)InChI: InChI=1/C5H6N2O4/c1-10-4(8)3(7-6)5(9)11-2/h1-2H3
(3)InChIKey: UFAZHCVBGMSJHS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H6N2O4/c1-10-4(8)3(7-6)5(9)11-2/h1-2H3
(5)Std. InChIKey: UFAZHCVBGMSJHS-UHFFFAOYSA-N