Home Other Building Blocks 3-(prop-2-enamido)benzoic acid

3-(prop-2-enamido)benzoic acid

CAS No.:
17090-28-7
Catalog Number:
AG01BS0D
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG01BS0D
Chemical Name:
3-(prop-2-enamido)benzoic acid
CAS Number:
17090-28-7
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00586525
IUPAC Name:
3-(prop-2-enoylamino)benzoic acid
InChI:
InChI=1S/C10H9NO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14)
InChI Key:
CQGQDOGZDYSFGS-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties