Home Other Building Blocks 4-[ethyl(propyl)carbamoyl]benzoic acid

4-[ethyl(propyl)carbamoyl]benzoic acid

CAS No.:
1155169-31-5
Catalog Number:
AG01AATD
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG01AATD
Chemical Name:
4-[ethyl(propyl)carbamoyl]benzoic acid
CAS Number:
1155169-31-5
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD12412555
IUPAC Name:
4-[ethyl(propyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-3-9-14(4-2)12(15)10-5-7-11(8-6-10)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChI Key:
KQFNMRFNBZSYTR-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)c1ccc(cc1)C(=O)O)CC
Properties
Complexity:
270  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties