4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE

CAS No.
199926-39-1 ;138-60-3
CCD No.
CCD00418527
Formula
C7 H5 N O5 . H2 O
MolWeight
201.133

Basic Information

Product Name: 4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE
CAS: 199926-39-1 ;138-60-3
English Synonyms: CHELIDAMIC ACID MONOHYDRATE ; 4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID HYDRATE ; 1,4-DIHYDRO-4-OXO-2,6-PYRIDINEDICARBOXYLIC ACID MONOHYDRATE
MDL Number.: MFCD03818117
H bond acceptor: 6
H bond donor: 3
Smile: c1c(=O)cc([nH]c1C(=O)O)C(=O)O.O
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

Property

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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