Eugenol EP Impurity M

CAT: 1596-AR-E10857-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10857-04Size:100 Units

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CAS Number

4433-08-3

Synonyms

5,5'-diallyl-3,3'-dimethoxy-[1,1'-biphenyl]-2,2'-diol

Molecular Formula

C20H22O4

Molecular Weight

326.39

API Name

Eugenol

Chemical Information

Dehydrodieugenol

Dehydrodieugenol is a member of biphenyls.

CAS Number	4433-08-3
PubChem CID	165225
IUPAC Name	2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-6-methoxy-4-prop-2-enylphenol
Molecular Formula	C20H22O4
Molecular Weight	326.4
XLogP	4.9
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	372

SMILES

COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CC=C)OC)O)CC=C

InChI

InChI=1S/C20H22O4/c1-5-7-13-9-15(19(21)17(11-13)23-3)16-10-14(8-6-2)12-18(24-4)20(16)22/h5-6,9-12,21-22H,1-2,7-8H2,3-4H3

InChIKey

KETPSFSOGFKJJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4433-08-3

CID: 165225

Formula: C20H22O4

MW: 326.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	326.15180918
Monoisotopic Mass	326.15180918
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	372
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
AR-E10852-01	Eugenol EP Impurity C
AR-E10853-01	Eugenol EP Impurity D
AR-E10854-01	Eugenol EP Impurity G
AR-E10855-01	Eugenol EP Impurity L
AR-E10850-01	Eugenol Impurity 2
AR-E10851-01	Eugenol Impurity 3
AR-E02226-01	Eugenol Impurity 1
AR-A05162-01	Ibuprofen EP Impurity M
AR-E01914-01	Ethinylestradiol EP Impurity M
AR-A01373-01	Valaciclovir EP Impurity M

Catalog	Name
RM-E210723-01	Eugenol Impurity 23
RM-E210721-01	Eugenol Impurity 21
RM-E210722-01	Eugenol Impurity 22
RM-E210720-01	Eugenol Impurity 20
RM-E210712-01	Eugenol EP Impurity L
RM-E210707-01	Eugenol EP Impurity G
RM-E210701-01	Eugenol EP Impurity A; (-) -Caryophyllene
RM-E210706-01	Eugenol EP Impurity F
RM-E210709-01	Eugenol EP Impurity I
RM-E210710-01	Eugenol EP Impurity J