AG002RIP

2605-68-7 | Propanoic acid, 2-(triphenylphosphoranylidene)-, methyl ester

AG002RIP

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CAS Number	2605-68-7
Catalog Number	AG002RIP(AGN-PC-0N6RKT)
Chemical Name	Propanoic acid, 2-(triphenylphosphoranylidene)-, methyl ester
IUPAC Name	methyl 2-(triphenyl-λ5-phosphanylidene)propanoate
InChI	InChI=1S/C22H21O2P/c1-18(22(23)24-2)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1-2H3
InChI Key	WCXPAYJKBTVUBC-UHFFFAOYSA-N
MDL Number	MFCD08062441
Molecular Formula	C22H21O2P
Molecular Weight	348.3747
SMILES	C1(=CC=CC=C1)P(=C(C(=O)OC)C)(C1=CC=CC=C1)C1=CC=CC=C1
Synonyms	2605-68-7, Methyl 2-(triphenylphosphoranylidene)propanoate, carbmethoxy ethylidene triphenyl phosphorane, AK102660, Propanoic acid, 2-(triphenylphosphoranylidene)-, methyl ester, 1-METHOXYCARBONYLETHYLIDENETRIPHENYLPHOSPHORANE, SCHEMBL1827594, CTK4F7004, DTXSID30441907, WCXPAYJKBTVUBC-UHFFFAOYSA-N, 2221AB, ANW-65517, MFCD08062441, AKOS016005567, ZINC100008534, ACM2605687, 1-carbomethoxyethylidene triphenylphosphine, BP-20608, AX8234199, TC-154262, Methyl 2-(triphenylphosphoranediyl)propionate, K-6754, methyl 2-(triphenylphosphoranylidene)propionate, methyl 2-(triphenylphosphoranyli-dene) propionate, [1-(methoxycarbonyl)ethylidene]triphenylphosphorane, methyl 2-(triphenyl-$l^{5-phosphanylidene)propanoate, Methyl 2-(triphenyl-lambda~5~-phosphanylidene)propanoate, Propanoic acid,2-(triphenylphosphoranylidene)-, methyl ester, C22H21O2P, CID10569721, Methyl 2-triphenylphosphoranylidenepropanoate,

Complexity	440
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.128g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	348.382g/mol
Monoisotopic Mass	348.128g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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