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137695-60-4 | 3-Penten-2-one, 4-[(1,2-dihydro-3-acenaphthylenyl)amino]-
CAS No: 137695-60-4 Catalog No: AG0013QI MDL No:
Product Description
Catalog Number:
AG0013QI
Chemical Name:
3-Penten-2-one, 4-[(1,2-dihydro-3-acenaphthylenyl)amino]-
CAS Number:
137695-60-4
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
4-(1,2-dihydroacenaphthylen-3-ylamino)pent-3-en-2-one
InChI:
InChI=1S/C17H17NO/c1-11(10-12(2)19)18-16-9-7-14-5-3-4-13-6-8-15(16)17(13)14/h3-5,7,9-10,18H,6,8H2,1-2H3
InChI Key:
USLLSYOTGGPJKL-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C)Nc1ccc2c3c1CCc3ccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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