COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CAS: 2605-67-6
Name: methyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILES: COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Molecular Processing

Molecular formula
C21H19O2P
Molecular weight
334.36
Exact mass
334.1123
XLogP
2.96
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
103.23

Supplementary Information

InChIKey: NTNUDYROPUKXNA-UHFFFAOYSA-N
Synonyme
2605-67-6Methyl (triphenylphosphoranylidene)acetate(Carbomethoxymethylene)triphenylphosphoraneAcetic acid, (triphenylphosphoranylidene)-, methyl ester(Triphenylphosphoranylidene)acetic acid methyl esterMethyl triphenylphosphoranylideneacetateTriphenyl(carbomethoxymethylene)phosphoraneAcetic acid, 2-(triphenylphosphoranylidene)-, methyl esterEINECS 220-018-4((Methoxycarbonyl)methylene)triphenylphosphorane[(Methoxycarbonyl)methylene]triphenylphosphoraneNSC 117573NSC 407395DTXSID6062549RefChem:552122DTXCID5037440220-018-4InChI=1/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1HMethyl 2-(triphenylphosphoranylidene)acetateCARBOMETHOXYMETHYLENE TRIPHENYLPHOSPHORANEMFCD00008455METHYL(TRIPHENYLPHOSPHORANYLIDENE)ACETATEmethyl 2-(triphenyl-lambda5-phosphanylidene)acetate(Methoxycarbonylmethylene)triphenylphosphoraneC21H19O2P21204-67-1CarbomethoxymethylenetriphenylphosphoraneD9MZ753Q8KNSC-117573NSC-407395
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