Home Other Building Blocks 3-(propylcarbamoyl)benzoic acid

3-(propylcarbamoyl)benzoic acid

CAS No.:
940879-50-5
Catalog Number:
AG01AKKC
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG01AKKC
Chemical Name:
3-(propylcarbamoyl)benzoic acid
CAS Number:
940879-50-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD12173473
IUPAC Name:
3-(propylcarbamoyl)benzoic acid
InChI:
InChI=1S/C11H13NO3/c1-2-6-12-10(13)8-4-3-5-9(7-8)11(14)15/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,15)
InChI Key:
ZSXQJXAZWUQHFW-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties