1-ETHYL-1-METHYL-2-PROPYNYL 4-NITROBENZOATE

CAS No.
56009-23-5
CCD No.
CCD04187512
Formula
C13 H13 N O4
MolWeight
247.249

Basic Information

Product Name: 1-ETHYL-1-METHYL-2-PROPYNYL 4-NITROBENZOATE
CAS: 56009-23-5
English Synonyms: 3-METHYL-1-PENTYN-3-OL 4-NITROBENZOATE ; 1-ETHYL-1-METHYL-2-PROPYNYL 4-NITROBENZOATE
MDL Number.: MFCD18430897
H bond acceptor: 5
H bond donor: 0
Smile: CCC(C)(C#C)OC(=O)c1ccc(cc1)[N+](=O)[O-]
InChi: InChI=1S/C13H13NO4/c1-4-13(3,5-2)18-12(15)10-6-8-11(9-7-10)14(16)17/h1,6-9H,5H2,2-3H3
InChiKey: InChIKey=BMYYHJWJYBIWKL-UHFFFAOYSA-N

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