Catalog No.:AA00ADU2

146698-91-1 | (E/Z)-3-O-Methyl Entacapone

Name: Name:(E/Z)-3-O-Methyl Entacapone
Brand: AABLOCKS
SKU: AA00ADU2
Rating: 90 (10 reviews)

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Technical Information

Catalog Number:

AA00ADU2

Chemical Name:

(E/Z)-3-O-Methyl Entacapone

CAS Number:

146698-91-1

Molecular Formula:

C15H17N3O5

Molecular Weight:

319.3126

MDL Number:

MFCD18379531

SMILES:

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])C#N

Properties

Computed Properties

Complexity:

515

Covalently-Bonded Unit Count:

Defined Bond Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.5

Literature

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