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883044-72-2 | 2H-1-Benzopyran-2-one, 4-[[2-(1-cyclohexen-1-yl)ethyl]amino]-
CAS No: 883044-72-2 Catalog No: AG004942 MDL No:MFCD00109946
Product Description
Catalog Number:
AG004942
Chemical Name:
2H-1-Benzopyran-2-one, 4-[[2-(1-cyclohexen-1-yl)ethyl]amino]-
CAS Number:
883044-72-2
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
MDL Number:
MFCD00109946
IUPAC Name:
4-[2-(cyclohexen-1-yl)ethylamino]chromen-2-one
InChI:
InChI=1S/C17H19NO2/c19-17-12-15(14-8-4-5-9-16(14)20-17)18-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,18H,1-3,7,10-11H2
InChI Key:
FMBDZGARCNLQGH-UHFFFAOYSA-N
SMILES:
O=c1cc(NCCC2=CCCCC2)c2c(o1)cccc2
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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