Skip Navigation Links
ScientificNameLabel
2-Hydroxymethylbenzoate
PHCD compound ID : 5370
Chemical Names :
2-Hydroxymethylbenzoate
Molecular Formula : C8H7O3
Molecular Weight : 151.039519
More Details :
Names & Synonyms: 2-(hydroxymethyl)benzoate , 2-methylolbenzoate
Smiles: OCc1ccccc1C(=O)[O-]
InChi : InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)/p-1
InChi Key : InChIKey=MGMNPSAERQZUIM-UHFFFAOYSA-M
PubChem ID : 6971231
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 4.996158
Hydrogen bond donor count : 1 Electric dipole moment : 8.236
XLogP : -0.566 VDW volume : 138.174493
Molecular weight : 151.039519 HOMO-LUMO gap : 8.732000
Herb list :
Refrences & Litretures:
  
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us