Home Other Building Blocks 4-[(3-methylbutanamido)methyl]benzoic acid

4-[(3-methylbutanamido)methyl]benzoic acid

CAS No.:
925580-56-9
Catalog Number:
AG01AD0U
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG01AD0U
Chemical Name:
4-[(3-methylbutanamido)methyl]benzoic acid
CAS Number:
925580-56-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD14632037
IUPAC Name:
4-[(3-methylbutanoylamino)methyl]benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-9(2)7-12(15)14-8-10-3-5-11(6-4-10)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
NSCQUVFNAULNDA-UHFFFAOYSA-N
SMILES:
CC(CC(=O)NCc1ccc(cc1)C(=O)O)C
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties