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100042-37-3 | 4-Piperidinone, 1-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS No: 100042-37-3 Catalog No: AG0000NX MDL No:
Product Description
Catalog Number:
AG0000NX
Chemical Name:
4-Piperidinone, 1-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
100042-37-3
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)-2-(4-oxopiperidin-1-yl)prop-2-enal
InChI:
InChI=1S/C15H17NO4/c1-20-15-9-11(2-3-14(15)19)8-12(10-17)16-6-4-13(18)5-7-16/h2-3,8-10,19H,4-7H2,1H3
InChI Key:
YZFNACGNAMCYNX-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/C(=O)N2CCC(=O)CC2)ccc1O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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