Home Other Building Blocks 2-cyclohexaneamido-4,5-dimethoxybenzoic acid

2-cyclohexaneamido-4,5-dimethoxybenzoic acid

CAS No.:
294892-11-8
Catalog Number:
AG019JLD
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
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Product Description
Catalog Number:
AG019JLD
Chemical Name:
2-cyclohexaneamido-4,5-dimethoxybenzoic acid
CAS Number:
294892-11-8
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
MDL Number:
MFCD01930126
IUPAC Name:
2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C16H21NO5/c1-21-13-8-11(16(19)20)12(9-14(13)22-2)17-15(18)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)(H,19,20)
InChI Key:
XYSSUPGLCRPMQV-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)C2CCCCC2)c(cc1OC)C(=O)O
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties