56406-38-3
2-(3,4-DIMETHOXYBENZYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID
Name
2-(3,4-DIMETHOXYBENZYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID
Formula
C14 H14 N2 O5
MolWeight
290.274
1Identification
【Name】
2-(3,4-DIMETHOXYBENZYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09754878
【English Synonyms】
【Formula】
C14 H14 N2 O5
【MolWeight】
290.274
【Inchi】
InChI=1S/C14H14N2O5/c1-20-10-4-3-8(5-11(10)21-2)6-12-15-7-9(14(18)19)13(17)16-12/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17)
【InChIKey】
InChIKey=MXQJKEOPUKVZDZ-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)Cc2[nH]c(=O)c(cn2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3,4-DIMETHOXYBENZYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID.cml
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Catalog No:D87651 nullnull
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