Home Nitriles 2-(3-formyl-4-hydroxyphenyl)acetonitrile

2-(3-formyl-4-hydroxyphenyl)acetonitrile

CAS No.:
706820-77-1
Catalog Number:
AG01DWM7
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG01DWM7
Chemical Name:
2-(3-formyl-4-hydroxyphenyl)acetonitrile
CAS Number:
706820-77-1
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD24685755
IUPAC Name:
2-(3-formyl-4-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C9H7NO2/c10-4-3-7-1-2-9(12)8(5-7)6-11/h1-2,5-6,12H,3H2
InChI Key:
BKZOBSOONHBLJE-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C=O)O
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties