Home Other Building Blocks methyl 2-(4-cyano-2-hydroxyphenyl)acetate

methyl 2-(4-cyano-2-hydroxyphenyl)acetate

CAS No.:
1261649-42-6
Catalog Number:
AG01AG3U
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG01AG3U
Chemical Name:
methyl 2-(4-cyano-2-hydroxyphenyl)acetate
CAS Number:
1261649-42-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD18399081
IUPAC Name:
methyl 2-(4-cyano-2-hydroxyphenyl)acetate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)5-8-3-2-7(6-11)4-9(8)12/h2-4,12H,5H2,1H3
InChI Key:
LKVLPOJNMZPYRD-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1O)C#N
Properties
Complexity:
255  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties