Guaifenesin EP Impurity D

CAT: 1299-RM-G210604-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G210604-01Size:10 mg

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CAS Number

16929-60-5

Synonyms

1,3-bis (2-methoxyphenoxy) propan-2-ol

Molecular Formula

C17H20O5

Molecular Weight

304.34

Target Alternative Name

Guaifenesin

Product Name Synonym

1,3-bis (2-methoxyphenoxy) propan-2-ol

Chemical Information

1,3-Bis(2-methoxyphenoxy)-2-propanol

CAS Number	16929-60-5
PubChem CID	97669
IUPAC Name	1,3-bis(2-methoxyphenoxy)propan-2-ol
Molecular Formula	C17H20O5
Molecular Weight	304.34
XLogP	2.9
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	271

SMILES

COC1=CC=CC=C1OCC(COC2=CC=CC=C2OC)O

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

InChIKey

SSNCGCIXFDVLFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16929-60-5

CID: 97669

Formula: C17H20O5

MW: 304.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.34
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	304.13107373
Monoisotopic Mass	304.13107373
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-G210603-01	Guaifenesin EP Impurity C
RM-G210200-01	Guaiacol; Guaifenesin EP Impurity A
RM-G210602-01	Guaifenesin EP Impurity B
RM-G210625-01	Guaifenesin Impurity 25
RM-G210606-01	Guaifenesin Impurity 6
RM-G210619-01	Guaifenesin Impurity 19
RM-G210617-01	Guaifenesin Impurity 17
RM-G210614-01	Guaifenesin Impurity 14
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D

Catalog	Name
AR-G02787-01	Guaifenesin Impurity 1
AR-G01624-01	Guaifenesin EP Impurity C
AR-G01625-01	Guaifenesin EP Impurity D
IG176323-01	Guaifenesin EP Impurity B
AR-A02150-01	Guaifenesin EP Impurity A (Guaiacol)
AR-G02788-01	Guaifenesin EP Impurity B-d4
OR1036735	2- (2-Methoxyphenoxy) propane-1,3-diol (Guaifenesin Impurity)
MBS576828	Guaifenesin