Eugenol Impurity 23

CAT: 1299-RM-E210723-02Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E210723-02Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1335401-17-6

Synonyms

4-allyl-2- (methoxy-d3) phenol

Molecular Formula

C10H9D3O2

Molecular Weight

167.22

Target Alternative Name

Eugenol

Chemical Information

Eugenol-d3

CAS Number	1335401-17-6
PubChem CID	121494022
IUPAC Name	4-prop-2-enyl-2-(trideuteriomethoxy)phenol
Molecular Formula	C10H12O2
Molecular Weight	167.22
XLogP	2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

[2H]C([2H])([2H])OC1=C(C=CC(=C1)CC=C)O

InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3/i2D3

InChIKey

RRAFCDWBNXTKKO-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 1335401-17-6

CID: 121494022

Formula: C10H12O2

MW: 167.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.22
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	167.102559859
Monoisotopic Mass	167.102559859
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
Isotope Atom Count	3
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-E210721-01	Eugenol Impurity 21
RM-E210722-01	Eugenol Impurity 22
RM-E210720-01	Eugenol Impurity 20
RM-E210707-01	Eugenol EP Impurity G
RM-E210712-01	Eugenol EP Impurity L
RM-E210701-01	Eugenol EP Impurity A; (-) -Caryophyllene
RM-E210709-01	Eugenol EP Impurity I
RM-E210710-01	Eugenol EP Impurity J
RM-E210706-01	Eugenol EP Impurity F
RM-E210711-01	Eugenol EP Impurity K