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116882-98-5 | Acetic acid, 2-(4-pyridinylmethoxy)-
CAS No: 116882-98-5 Catalog No: AG000DBY MDL No:MFCD20660938
Product Description
Catalog Number:
AG000DBY
Chemical Name:
Acetic acid, 2-(4-pyridinylmethoxy)-
CAS Number:
116882-98-5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD20660938
IUPAC Name:
2-(pyridin-4-ylmethoxy)acetic acid
InChI:
InChI=1S/C8H9NO3/c10-8(11)6-12-5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,11)
InChI Key:
NHAFAQKGBMCEPF-UHFFFAOYSA-N
SMILES:
OC(=O)COCc1ccncc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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