AG003I2F

49855-03-0 | 3-(3-methoxyphenoxy)propanoic acid

AG003I2F

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CAS Number	49855-03-0
Catalog Number	AG003I2F(AGN-PC-0LOD97)
Chemical Name	3-(3-methoxyphenoxy)propanoic acid
IUPAC Name	3-(3-methoxyphenoxy)propanoic acid
InChI	InChI=1S/C10H12O4/c1-13-8-3-2-4-9(7-8)14-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI Key	JKTUZDBNDYMNLO-UHFFFAOYSA-N
MDL Number	MFCD00045943
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	O=C(O)CCOC1=CC=CC(OC)=C1
Synonyms	3-(3-Methoxyphenoxy)propionic Acid, 49855-03-0, 3-(3-methoxyphenoxy)propanoic Acid, Propanoic acid, 3-(3-methoxyphenoxy)-, PubChem19221, ACMC-1ASU3, AC1NPC06, SCHEMBL5067089, CTK4J1774, KS-00000CLM, DTXSID60409550, 3-(3-Methoxyphenoxy)propionicAcid, ZINC4257832, 5640AJ, ANW-30860, MFCD00045943, AKOS000131942, MCULE-6807230641, TRA0035940, AJ-49793, AS-31597, SY008351, AB0059725, DB-051697, TC-119605, FT-0639890, M1692, K-9249, MFCD00045943 (97+%), SR-01000395293, SR-01000395293-1, I14-20197, Z57772229, 3- propionicacid, C10H12O4, CID5201573, 212210-87-2,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number