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87883-52-1 | 2-Cyclopenten-1-one, 3-[methyl(3-methyl-2-butenyl)amino]-
CAS No: 87883-52-1 Catalog No: AG004FXK MDL No:
Product Description
Catalog Number:
AG004FXK
Chemical Name:
2-Cyclopenten-1-one, 3-[methyl(3-methyl-2-butenyl)amino]-
CAS Number:
87883-52-1
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
3-[methyl(3-methylbut-2-enyl)amino]cyclopent-2-en-1-one
InChI:
InChI=1S/C11H17NO/c1-9(2)6-7-12(3)10-4-5-11(13)8-10/h6,8H,4-5,7H2,1-3H3
InChI Key:
JGNOYYBCVRWPIE-UHFFFAOYSA-N
SMILES:
CN(C1=CC(=O)CC1)CC=C(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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