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27276-25-1 | Hexanoic acid,6-[(3,4,5-trimethoxybenzoyl)amino]-, sodium salt (1:1)
CAS No: 27276-25-1 Catalog No: AG007LB1 MDL No:
Product Description
Catalog Number:
AG007LB1
Chemical Name:
Hexanoic acid,6-[(3,4,5-trimethoxybenzoyl)amino]-, sodium salt (1:1)
CAS Number:
27276-25-1
Molecular Formula:
C16H22NNaO6
Molecular Weight:
347.3388
IUPAC Name:
sodium;6-[(3,4,5-trimethoxybenzoyl)amino]hexanoate
InChI:
InChI=1S/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1
InChI Key:
SNOOUWRIMMFWNE-UHFFFAOYSA-M
SMILES:
COc1cc(cc(c1OC)OC)C(=O)NCCCCCC(=O)[O-].[Na+]
EC Number:
248-381-4
UNII:
505434F98H
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.343g/mol
Monoisotopic Mass:
347.134g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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