200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 749920-64-7
749920-64-7 | 2-(2-{bicyclo[2.2.1]heptan-2-yl}acetamido)-4,5-dimethoxybenzoic acid
CAS No: 749920-64-7 Catalog No: AG019JOC MDL No:
Product Description
Catalog Number:
AG019JOC
Chemical Name:
2-(2-{bicyclo[2.2.1]heptan-2-yl}acetamido)-4,5-dimethoxybenzoic acid
CAS Number:
749920-64-7
Molecular Formula:
C18H23NO5
Molecular Weight:
333.3789
IUPAC Name:
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C18H23NO5/c1-23-15-8-13(18(21)22)14(9-16(15)24-2)19-17(20)7-12-6-10-3-4-11(12)5-10/h8-12H,3-7H2,1-2H3,(H,19,20)(H,21,22)
InChI Key:
WLQCKJXMBOSENU-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)CC2CC3CC2CC3)c(cc1OC)C(=O)O
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.384g/mol
Monoisotopic Mass:
333.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.