Home Other Building Blocks Methyl 4-cyano-3-hydroxybenzoate

Methyl 4-cyano-3-hydroxybenzoate

CAS No.:
6520-87-2
Catalog Number:
AG00EE6P
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$185
- +
5g
95%
1 week
United States
$478
- +
Product Description
Catalog Number:
AG00EE6P
Chemical Name:
Methyl 4-cyano-3-hydroxybenzoate
CAS Number:
6520-87-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09836734
IUPAC Name:
methyl 4-cyano-3-hydroxybenzoate
InChI:
InChI=1S/C9H7NO3/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4,11H,1H3
InChI Key:
VDEARWYDVSYTNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)O)C#N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties