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Home > Pyridines > 478033-75-9
478033-75-9 | 1-(cyclopropylmethyl)-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS No: 478033-75-9 Catalog No: AG00IT29 MDL No:MFCD02082727
Product Description
Catalog Number:
AG00IT29
Chemical Name:
1-(cyclopropylmethyl)-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS Number:
478033-75-9
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
MDL Number:
MFCD02082727
IUPAC Name:
1-(cyclopropylmethyl)-4-hydroxy-3-(3-phenylprop-2-enyl)pyridin-2-one
InChI:
InChI=1S/C18H19NO2/c20-17-11-12-19(13-15-9-10-15)18(21)16(17)8-4-7-14-5-2-1-3-6-14/h1-7,11-12,15,20H,8-10,13H2
InChI Key:
LZJXRSLOJHSSNY-UHFFFAOYSA-N
SMILES:
Oc1ccn(c(=O)c1C/C=C/c1ccccc1)CC1CC1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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