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Home > Pyridines > 924871-05-6
924871-05-6 | 3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924871-05-6 Catalog No: AG019Q35 MDL No:MFCD08445079
Product Description
Catalog Number:
AG019Q35
Chemical Name:
3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924871-05-6
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
MDL Number:
MFCD08445079
IUPAC Name:
3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C17H17NO3/c1-12-9-14(6-7-16(19)20)10-13(2)17(12)21-11-15-5-3-4-8-18-15/h3-10H,11H2,1-2H3,(H,19,20)
InChI Key:
NXOUEDQZTBAHOR-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc(C)c(c(c1)C)OCc1ccccn1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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