Home Other Building Blocks 4-[(2,2-dimethylpropyl)carbamoyl]benzoic acid

4-[(2,2-dimethylpropyl)carbamoyl]benzoic acid

CAS No.:
1304943-12-1
Catalog Number:
AG01AKW2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG01AKW2
Chemical Name:
4-[(2,2-dimethylpropyl)carbamoyl]benzoic acid
CAS Number:
1304943-12-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD13216856
IUPAC Name:
4-(2,2-dimethylpropylcarbamoyl)benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)8-14-11(15)9-4-6-10(7-5-9)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
SOIKFRVPSFTGTC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)O)NCC(C)(C)C
Properties
Complexity:
286  
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:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties