199926-39-1
4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE
Name
4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE
Formula
C7 H5 N O5 . H2 O
MolWeight
201.133
1Identification
【Name】
4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE
【CAS】
199926-39-1
;138-60-3
【MDL】
MFCD03818117
【English Synonyms】
【Formula】
C7 H5 N O5 . H2 O
【MolWeight】
201.133
【Inchi】
InChI=1S/C7H5NO5.H2O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);1H2
【InChIKey】
InChIKey=SNGPHFVJWBKEDG-UHFFFAOYSA-N
【SMILES】
c1c(=O)cc([nH]c1C(=O)O)C(=O)O.O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE.cml
Quick Release
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Catalog No:CS15477 1g
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Business Type:Lab/Research institutions
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Catalog No:AK-75647 1G
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Country/Region:United States
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Catalog No:4915116 up to kgs
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Country/Region:United States
Business Type:Others
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