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1261559-90-3 | Benzeneacetic acid, 2-cyano-4-hydroxy-, methyl ester
CAS No: 1261559-90-3 Catalog No: AG000RU2 MDL No:MFCD18399075
Product Description
Catalog Number:
AG000RU2
Chemical Name:
Benzeneacetic acid, 2-cyano-4-hydroxy-, methyl ester
CAS Number:
1261559-90-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD18399075
IUPAC Name:
methyl 2-(2-cyano-4-hydroxyphenyl)acetate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)5-7-2-3-9(12)4-8(7)6-11/h2-4,12H,5H2,1H3
InChI Key:
AAAHTWQJGFZKFC-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1C#N)O
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
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