64224-10-8
5-PYRIMIDINEPROPANOIC ACID, A-ETHYL-B-OXO-, ETHYL ESTER
Name5-PYRIMIDINEPROPANOIC ACID, A-ETHYL-B-OXO-, ETHYL ESTER
1Identification
【Name】
5-PYRIMIDINEPROPANOIC ACID, A-ETHYL-B-OXO-, ETHYL ESTER
【CAS】
【MDL】
MFCD13183644
【English Synonyms】
【Formula】
C11 H14 N2 O3
【MolWeight】
222.243
【Inchi】
InChI=1S/C11H14N2O3/c1-3-9(11(15)16-4-2)10(14)8-5-12-7-13-6-8/h5-7,9H,3-4H2,1-2H3
【InChIKey】
InChIKey=OHCDFAPOQGJFBR-UHFFFAOYSA-N
【SMILES】
CCC(C(=O)c1cncnc1)C(=O)OCC
【MOL File】
5-PYRIMIDINEPROPANOI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-PYRIMIDINEPROPANOIC ACID, A-ETHYL-B-OXO-, ETHYL ESTER.cml