AG00IA0S

56122-34-0 | 1,3-Propanediol, 1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)-

AG00IA0S

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CAS Number	56122-34-0
Catalog Number	AG00IA0S(AGN-PC-00OZX4)
Chemical Name	1,3-Propanediol, 1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)-
IUPAC Name	1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
InChI	InChI=1S/C16H18O5/c1-20-13-4-2-3-5-14(13)21-15(10-17)16(19)11-6-8-12(18)9-7-11/h2-9,15-19H,10H2,1H3
InChI Key	KQUCJPUVVALEHP-UHFFFAOYSA-N
MDL Number	MFCD29047018
Molecular Formula	C16H18O5
Molecular Weight	290.3111
SMILES	COC1=CC=CC=C1OC(CO)C(O)C1=CC=C(O)C=C1
Synonyms	56122-34-0, 1-(4-Hydroxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, AK175017, SCHEMBL13499772, KS-00000T5I, MFCD29047018, AKOS025404993, DS-8926, 4-[1,3-Dihydroxy-2-(2-methoxyphenoxy)propyl]phenol, 1,3-Propanediol, 1-(4-hydroxyphenyl)-2-(2-methoxyphenoxy)-, 1-(4-hydroxyphenyl)-2-(2'-methoxyphenoxy)propane-1,3-diol, ACN-038552, 4-(1,3-dihydroxy-2-(2-methoxyphenoxy)propyl)phenol, Hg,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.115g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	290.315g/mol
Monoisotopic Mass	290.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	79.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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