AG003IS3

805243-04-3 | 3-(Bis(benzyloxy)phosphoryl)propanoic acid

AG003IS3

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CAS Number	805243-04-3
Catalog Number	AG003IS3(AGN-PC-07NGUQ)
Chemical Name	3-(Bis(benzyloxy)phosphoryl)propanoic acid
IUPAC Name	3-bis(phenylmethoxy)phosphorylpropanoic acid
InChI	InChI=1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChI Key	WCSXCHGBVSQCMB-UHFFFAOYSA-N
MDL Number	MFCD08064320
Molecular Formula	C17H19O5P
Molecular Weight	334.3035
SMILES	O=C(O)CCP(OCC1=CC=CC=C1)(OCC2=CC=CC=C2)=O
Synonyms	3-(Bis(benzyloxy)phosphoryl)propanoic acid, 805243-04-3, Propanoic acid, 3-[bis(phenylmethoxy)phosphinyl]-, 3-[BIS(PHENYLMETHOXY)PHOSPHINYL]-PROPANOIC ACID, AK159812, 3-bis(phenylmethoxy)phosphorylpropanoic acid, 3-[Bis(benzyloxy)phosphoryl]propanoic acid, SCHEMBL51139, 3-[BIS(PHENYLMETHOXY)PHOSPHINYL]-PR OPANOIC ACID, CTK2I7410, DTXSID30673140, WCSXCHGBVSQCMB-UHFFFAOYSA-N, CS-B1166, KS-000001BJ, MFCD08064320, ZINC90694853, AKOS024464595, FCH2816816, TRA0065159, 3-bis(benzyloxy)phosphorylpropanoic acid, AJ-129156, AX8293071, 3-(Bis-benzyloxy-phosphoryl)-propionic acid, ST24041546, 3-((bis(benzyloxy))phosphoryl)propanoic acid, 108-55-4,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.097g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	334.308g/mol
Monoisotopic Mass	334.097g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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