Home Other Building Blocks 3-methoxy-4-{[(propan-2-yl)carbamoyl]methoxy}benzoic acid

3-methoxy-4-{[(propan-2-yl)carbamoyl]methoxy}benzoic acid

CAS No.:
1016677-07-8
Catalog Number:
AG019V8M
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
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Product Description
Catalog Number:
AG019V8M
Chemical Name:
3-methoxy-4-{[(propan-2-yl)carbamoyl]methoxy}benzoic acid
CAS Number:
1016677-07-8
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
MDL Number:
MFCD09802352
IUPAC Name:
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
InChI:
InChI=1S/C13H17NO5/c1-8(2)14-12(15)7-19-10-5-4-9(13(16)17)6-11(10)18-3/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
GTJGUINEMONJFO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCC(=O)NC(C)C)C(=O)O
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties