MW: 152.15
CAS: 121-33-5
TNP NUMBER: TNP00461
MDL NUMBER: MFCD00006942
IUPAC: 4-hydroxy-3-methoxybenzaldehyde
Smiles: c1(ccc(cc1OC)C=O)O
Occurs naturally in wide variety of foods and plants. Isolated from vanilla beans
ACCEPTORS: 3
DONORS: 1
ROTATION BONDS: 3
N+O: 3
Chiral Centers: 0
LogP: 1.28
LogS: -2.92
LIPINSKI: 4
Monograph Number: 0009998
Title: Vanillin
CAS Registry Number: 121-33-5
CAS Name: 4-Hydroxy-3-methoxybenzaldehyde
Additional Names: methylprotocatechuic aldehyde; vanillic aldehyde
Trademarks: Rhonavil Extra Pure (Rh
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