AG00D8XU

50789-43-0 | Methyl 3-phenoxybenzoate

AG00D8XU

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CAS Number	50789-43-0
Catalog Number	AG00D8XU(AGN-PC-0JNOB0)
Chemical Name	Methyl 3-phenoxybenzoate
EC Number	256-764-2
IUPAC Name	methyl 3-phenoxybenzoate
InChI	InChI=1S/C14H12O3/c1-16-14(15)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12/h2-10H,1H3
InChI Key	GWNMDCSPTJONPD-UHFFFAOYSA-N
MDL Number	MFCD00017192
Molecular Formula	C14H12O3
Molecular Weight	228.2433
SMILES	O=C(OC)C1=CC=CC(OC2=CC=CC=C2)=C1
Synonyms	Methyl 3-phenoxybenzoate, 50789-43-0, Benzoic acid, 3-phenoxy-, methyl ester, 3-Phenoxybenzoic acid methyl ester, 3-Methoxycarbonyldiphenyl ether, Methyl-3-phenoxybenzoate, EINECS 256-764-2, BRN 2111581, GWNMDCSPTJONPD-UHFFFAOYSA-N, Benzoic acid,3-phenoxy-, methyl ester, AC1L54ZT, 4-10-00-00320 (Beilstein Handbook Reference), SCHEMBL521860, CTK4J3175, KS-00002ASU, DTXSID50198825, ZINC165554, 4507AE, MFCD00017192, SBB053773, AKOS022396915, MCULE-3186524761, PS-7746, DA-19638, LS-38133, ZB008500, FT-0703044, ST50949702, Ethyl 3-phenoxybenzoate, METHYL3-PHENOXYBENZOATE, C14H12O3, CID198261, C14-H12-O3,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.247g/mol
Monoisotopic Mass	228.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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