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Home > Pyridines > 188990-87-6
188990-87-6 | 3-Butynoic acid, 2,2-dimethyl-4-[6-(phenylmethoxy)-2-pyridinyl]-
CAS No: 188990-87-6 Catalog No: AG002HNK MDL No:
Product Description
Catalog Number:
AG002HNK
Chemical Name:
3-Butynoic acid, 2,2-dimethyl-4-[6-(phenylmethoxy)-2-pyridinyl]-
CAS Number:
188990-87-6
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
2,2-dimethyl-4-(6-phenylmethoxypyridin-2-yl)but-3-ynoic acid
InChI:
InChI=1S/C18H17NO3/c1-18(2,17(20)21)12-11-15-9-6-10-16(19-15)22-13-14-7-4-3-5-8-14/h3-10H,13H2,1-2H3,(H,20,21)
InChI Key:
XTWAHRCLSMPPTK-UHFFFAOYSA-N
SMILES:
OC(=O)C(C#Cc1cccc(n1)OCc1ccccc1)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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