Dopamine Impurity 76

CAT: 1299-RM-D151676-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151676-02Size:25 mg

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CAS Number

1835-11-6

Synonyms

1- (4- (benzyloxy) -3-methoxyphenyl) ethan-1-one

Molecular Formula

C16H16O3

Molecular Weight

256.3

Target Alternative Name

Dopamine

Product Name Synonym

1- (4- (benzyloxy) -3-methoxyphenyl) ethan-1-one

Chemical Information

1-(4-Benzyloxy-3-methoxy-phenyl)-ethanone

CAS Number	1835-11-6
PubChem CID	99215
IUPAC Name	1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
Molecular Formula	C16H16O3
Molecular Weight	256.30
XLogP	3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	284

SMILES

CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3

InChIKey

HRUAWSQBQLYDKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1835-11-6

CID: 99215

Formula: C16H16O3

MW: 256.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.30
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	256.109944368
Monoisotopic Mass	256.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	284
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