14305-86-3
ALPHA-ALLYL-ALPHA-ALLOPHANYL-GAMMA-BUTYROLACTONE
NameALPHA-ALLYL-ALPHA-ALLOPHANYL-GAMMA-BUTYROLACTONE
1Identification
【Name】
ALPHA-ALLYL-ALPHA-ALLOPHANYL-GAMMA-BUTYROLACTONE
【CAS】
【MDL】
MFCD01676977
【English Synonyms】
【Formula】
C16 H18 N2 O4
【MolWeight】
302.328
【Inchi】
InChI=1S/C16H18N2O4/c1-3-7-12-13(10(2)22-15(12)20)14(19)18-16(21)17-11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3,(H2,17,18,19,21)
【InChIKey】
InChIKey=SVPAIQDDJGVBCF-UHFFFAOYSA-N
【SMILES】
CC1C(C(C(=O)O1)CC=C)C(=O)NC(=O)Nc2ccccc2
【MOL File】
ALPHA-ALLYL-ALPHA-AL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-ALLYL-ALPHA-ALLOPHANYL-GAMMA-BUTYROLACTONE.cml