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6574-95-4 | 2-(2-Cyanophenoxy)acetic acid
CAS No: 6574-95-4 Catalog No: AG003BMY MDL No:MFCD02257373
Product Description
Catalog Number:
AG003BMY
Chemical Name:
2-(2-Cyanophenoxy)acetic acid
CAS Number:
6574-95-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD02257373
IUPAC Name:
2-(2-cyanophenoxy)acetic acid
InChI:
InChI=1S/C9H7NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,6H2,(H,11,12)
InChI Key:
FNJPHLBTJIHHPG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCC(=O)O
Properties
Complexity:
230
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:
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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