Home Other Building Blocks 2-[3-(1-cyanoethoxy)phenyl]acetic acid

2-[3-(1-cyanoethoxy)phenyl]acetic acid

CAS No.:
1249390-97-3
Catalog Number:
AG01AUFG
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01AUFG
Chemical Name:
2-[3-(1-cyanoethoxy)phenyl]acetic acid
CAS Number:
1249390-97-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD16077336
IUPAC Name:
2-[3-(1-cyanoethoxy)phenyl]acetic acid
InChI:
InChI=1S/C11H11NO3/c1-8(7-12)15-10-4-2-3-9(5-10)6-11(13)14/h2-5,8H,6H2,1H3,(H,13,14)
InChI Key:
OSCCTSZIXPMGJC-UHFFFAOYSA-N
SMILES:
N#CC(Oc1cccc(c1)CC(=O)O)C
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties