Dopamine Impurity 98

CAT: 1299-RM-D151708-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D151708-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2785-89-9

Synonyms

4-ethyl-2-methoxyphenol

Molecular Formula

C9H12O2

Molecular Weight

152.19

Target Alternative Name

Dopamine

Product Name Synonym

4-ethyl-2-methoxyphenol

Chemical Information

4-Ethylguaiacol

4-Ethyl-2-methoxyphenol is a member of phenols and a member of methoxybenzenes.

CAS Number	2785-89-9
PubChem CID	62465
IUPAC Name	4-ethyl-2-methoxyphenol
Molecular Formula	C9H12O2
Molecular Weight	152.19
XLogP	1.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

CCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3

InChIKey

CHWNEIVBYREQRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2785-89-9

CID: 62465

Formula: C9H12O2

MW: 152.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.19
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	152.083729621
Monoisotopic Mass	152.083729621
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
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