Home Nitriles 2-hydroxy-3-propionylbenzonitrile

2-hydroxy-3-propionylbenzonitrile

CAS No.:
99184-81-3
Catalog Number:
AG01C0CV
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01C0CV
Chemical Name:
2-hydroxy-3-propionylbenzonitrile
CAS Number:
99184-81-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD24702604
IUPAC Name:
2-hydroxy-3-propanoylbenzonitrile
InChI:
InChI=1S/C10H9NO2/c1-2-9(12)8-5-3-4-7(6-11)10(8)13/h3-5,13H,2H2,1H3
InChI Key:
QTYDJDPFLBFFOC-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cccc(c1O)C#N
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties