Home Other Building Blocks 4-(prop-2-ynamido)benzoic acid

4-(prop-2-ynamido)benzoic acid

CAS No.:
1016868-07-7
Catalog Number:
AG01AUSN
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
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Product Description
Catalog Number:
AG01AUSN
Chemical Name:
4-(prop-2-ynamido)benzoic acid
CAS Number:
1016868-07-7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD09946029
IUPAC Name:
4-(prop-2-ynoylamino)benzoic acid
InChI:
InChI=1S/C10H7NO3/c1-2-9(12)11-8-5-3-7(4-6-8)10(13)14/h1,3-6H,(H,11,12)(H,13,14)
InChI Key:
HZHUMVPNODZQJI-UHFFFAOYSA-N
SMILES:
C#CC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties