Eugenol EP Impurity I

CAT: 1299-RM-E210709-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E210709-02Size:25 mg

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CAS Number

93-28-7

Synonyms

4-allyl-2-methoxyphenyl acetate

Molecular Formula

C12H14O3

Molecular Weight

206.24

Target Alternative Name

Eugenol

Product Name Synonym

4-allyl-2-methoxyphenyl acetate

Chemical Information

Eugenyl Acetate

Acetyleugenol is a member of phenols and a benzoate ester.

CAS Number	93-28-7
PubChem CID	7136
IUPAC Name	(2-methoxy-4-prop-2-enylphenyl) acetate
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	2.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	225

SMILES

CC(=O)OC1=C(C=C(C=C1)CC=C)OC

InChI

InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3

InChIKey

SCCDQYPEOIRVGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93-28-7

CID: 7136

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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-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-E210710-01	Eugenol EP Impurity J
RM-E210705-01	Eugenol EP Impurity E
RM-E210704-01	Eugenol EP Impurity D
RM-E210711-01	Eugenol EP Impurity K
RM-E210713-01	Eugenol EP Impurity M
RM-E210703-01	Eugenol EP Impurity C