28280-67-3
3-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)PROPANOIC ACID
Name
3-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)PROPANOIC ACID
Formula
C6 H7 N3 O4
MolWeight
185.138
1Identification
【Name】
3-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD00100697
【English Synonyms】
【Formula】
C6 H7 N3 O4
【MolWeight】
185.138
【Inchi】
InChI=1S/C6H7N3O4/c10-4(11)2-1-3-5(12)7-6(13)9-8-3/h1-2H2,(H,10,11)(H2,7,9,12,13)
【InChIKey】
InChIKey=FTUSGQKLNKHJQS-UHFFFAOYSA-N
【SMILES】
C(CC(=O)O)c1c(=O)[nH]c(=O)[nH]n1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)PROPANOIC ACID.cml
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Catalog No:4850412 up to kgs
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