AG00ADBD

16929-60-5 | 1,3-Bis(2-methoxyphenoxy)-2-propanol

AG00ADBD

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CAS Number	16929-60-5
Catalog Number	AG00ADBD(AGN-PC-0JM2MW)
Chemical Name	1,3-Bis(2-methoxyphenoxy)-2-propanol
IUPAC Name	1,3-bis(2-methoxyphenoxy)propan-2-ol
InChI	InChI=1S/C17H20O5/c1-19-14-7-3-5-9-16(14)21-11-13(18)12-22-17-10-6-4-8-15(17)20-2/h3-10,13,18H,11-12H2,1-2H3
InChI Key	SSNCGCIXFDVLFP-UHFFFAOYSA-N
MDL Number	MFCD01697245
Molecular Formula	C17H20O5
Molecular Weight	304.3377
NSC Number	142122
SMILES	OC(COC2=CC=CC=C2OC)COC1=CC=CC=C1OC
Synonyms	16929-60-5, 2-Propanol, 1,3-bis(o-methoxyphenoxy)-, 2-Propanol, 1,3-bis(2-methoxyphenoxy)-, NSC 142122, 1,3-bis(2-methoxyphenoxy)propan-2-ol, 1,3-Bis(o-methoxyphenoxy)-2-propanol, BRN 2003232, 1,3-Bis(2-methoxyphenoxy)-2-propanol, NSC142122, Guaifenesin Impurity D, AC1L3YZU, 1,3-bis-(2-methoxy-phenoxy)-propan-2-ol, 3-06-00-04224 (Beilstein Handbook Reference), SCHEMBL2328960, DTXSID90168688, ZINC1726621, AKOS028111113, NSC-142122, LS-121765, 1,3-Bis(2-methoxyphenoxy)-2-propanol, pharmaceutical impurity standard, CID97669, O(CC(O)COc1ccccc1OC)c2ccccc2OC, C17-H20-O5,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	304.131g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	304.342g/mol
Monoisotopic Mass	304.131g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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