200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 79004-04-9
79004-04-9 | Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester
CAS No: 79004-04-9 Catalog No: AG005CDM MDL No:
Product Description
Catalog Number:
AG005CDM
Chemical Name:
Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester
CAS Number:
79004-04-9
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
IUPAC Name:
ethyl 2,3,4-trimethoxy-6-methylbenzoate
InChI:
InChI=1S/C13H18O5/c1-6-18-13(14)10-8(2)7-9(15-3)11(16-4)12(10)17-5/h7H,6H2,1-5H3
InChI Key:
MNTQOQRQRPWKIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cc(c(c1OC)OC)OC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
254.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.