Guaifenesin EP Impurity B

CAT: 1299-RM-G210602-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G210602-01Size:10 mg

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CAS Number

14007-09-1

Synonyms

2- (2-methoxyphenoxy) propane-1,3-diol

Molecular Formula

C10H14O4

Molecular Weight

198.22

Target Alternative Name

Guaifenesin

Product Name Synonym

2- (2-methoxyphenoxy) propane-1,3-diol

Chemical Information

guaifenesin beta-isomer

CAS Number	14007-09-1
PubChem CID	84154
IUPAC Name	2-(2-methoxyphenoxy)propane-1,3-diol
Molecular Formula	C10H14O4
Molecular Weight	198.22
XLogP	0.3
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	147

SMILES

COC1=CC=CC=C1OC(CO)CO

InChI

InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-8(6-11)7-12/h2-5,8,11-12H,6-7H2,1H3

InChIKey

DTADPBLDQSWASV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14007-09-1

CID: 84154

Formula: C10H14O4

MW: 198.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.22
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	198.08920892
Monoisotopic Mass	198.08920892
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	147
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-G210604-01	Guaifenesin EP Impurity D
RM-G210200-01	Guaiacol; Guaifenesin EP Impurity A
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-G210613-01	Guaifenesin Impurity 13
RM-G210626-01	Guaifenesin Impurity 26

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