Home Other Building Blocks 2-[4-(3,3-dimethylbutanamido)phenyl]acetic acid

2-[4-(3,3-dimethylbutanamido)phenyl]acetic acid

CAS No.:
954566-80-4
Catalog Number:
AG019PSK
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
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Product Description
Catalog Number:
AG019PSK
Chemical Name:
2-[4-(3,3-dimethylbutanamido)phenyl]acetic acid
CAS Number:
954566-80-4
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD09741224
IUPAC Name:
2-[4-(3,3-dimethylbutanoylamino)phenyl]acetic acid
InChI:
InChI=1S/C14H19NO3/c1-14(2,3)9-12(16)15-11-6-4-10(5-7-11)8-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
MTDFRKQOCOBRRK-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)Nc1ccc(cc1)CC(=O)O
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties