Ethanol,1-methoxy-,benzoate

ScientificNameLabel

Ethanol,1-methoxy-,benzoate
PHCD compound ID :	2594
Chemical Names :	Ethanol,1-methoxy-,benzoate
Molecular Formula :	C10H12O3
Molecular Weight :	180.078644

More Details :

Names & Synonyms:	1-methoxyethyl benzoate , benzoic acid 1-methoxyethyl ester
Smiles:	CO[C@H](OC(=O)c1ccccc1)C
InChi :	InChI=1S/C10H12O3/c1-8(12-2)13-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1
InChi Key :	InChIKey=XNFOBPBXXUROKA-MRVPVSSYSA-N
PubChem ID :	548002

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.137725
Hydrogen bond donor count :	0	Electric dipole moment :	1.683
XLogP :	1.71	VDW volume :	174.084692
Molecular weight :	180.078644	HOMO-LUMO gap :	9.544000

Herb list :

White mustard - Brassica alba - خردل سفید

Refrences & Litretures:


301. Journal:'Journal of Chromatography A' Year:'930' Volume:'2001' Page:'1' DOI:'' Title:'Comparison of simultaneous distillation extraction and solid-phase microextraction for the determination of volatile ?avor components'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us