2-Diazonio-1,3-dimethoxy-3-oxoprop-1-en-1-olate

HCID 547673
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Basic information

CAS
6773-29-1
Standard SMILES
COC(=O)C(=[N+]=[N-])C(=O)OC
InChIKey
UFAZHCVBGMSJHS-UHFFFAOYSA-N
Molecular formula
C5H6N2O4
Average molar mass
158.11 g/mol
Monoisotopic mass
158.03275668

Names & identifiers

Preferred name
2-Diazonio-1,3-dimethoxy-3-oxoprop-1-en-1-olate
IUPAC
dimethyl 2-diazopropanedioate
English name
bis(methoxycarbonyl)methylidene-imino-azanium
Molecular formula
C5H7N2O4+
Molecular weight
158.11

Names & synonyms

6773-29-1DTXSID409870682-diazonio-1,3-dimethoxy-3-oxoprop-1-en-1-olateRefChem:1062970DTXCID201414240Dimethyl diazomalonatedimethyl 2-diazomalonatePropanedioic acid,2-diazo-, 1,3-dimethyl esterdimethyl 2-diazopropanedioateMethyl diazomalonateDimethylDiazomalonate1,3-DIMETHYL 2-DIAZOPROPANEDIOATE
Show more names
Nsc1386514,5,9,11-PyrenetetroneDiazomalonic acid dimethyl2-Diazomalonic acid dimethyl
MFCD16877212Diazomalonic acid methyl esterPropanedioic acid, diazo-, dimethyl esterDiazomalonic acid dimethyl esterDicarbomethoxydiazomethanedimethyl diazopropanedioateBis(methoxycarbonyl)diazomethaneSCHEMBL2471546

Database identifiers

CAS
6773-29-1
PubChem CID
547673
DTXSID
DTXSID40987068
Nikkaji
J81.271D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
54.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Boiling point
50 · 50-52 °C(Press: 1 Torr)
solubility
soluble in ether, THF, halocarbon and hydrocarbon solvents.

Chemistry & industry

Upstream & downstream products

Suppliers45 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Related reactions

25 records
New reaction record

Compound notes

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