Dopamine Impurity 52

CAT: 1596-AR-D07528-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07528-01Size:10 Units

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

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CAS Number

24006-88-0

Molecular Formula

C12H12N2O2

Molecular Weight

216.24

API Name

Dopa

Chemical Information

2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile

CAS Number	24006-88-0
PubChem CID	910622
IUPAC Name	2-[2-(cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile
Molecular Formula	C12H12N2O2
Molecular Weight	216.24
XLogP	1.2
Topological Polar Surface Area	66
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	279

SMILES

COC1=C(C=C(C(=C1)CC#N)CC#N)OC

InChI

InChI=1S/C12H12N2O2/c1-15-11-7-9(3-5-13)10(4-6-14)8-12(11)16-2/h7-8H,3-4H2,1-2H3

InChIKey

ZOEPFMHUJANJRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24006-88-0

CID: 910622

Formula: C12H12N2O2

MW: 216.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.24
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	216.089877630
Monoisotopic Mass	216.089877630
Topological Polar Surface Area	66 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
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