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122617-88-3 | 2-Cyclopenten-1-one, 2-(1-hydroxybutyl)-
CAS No: 122617-88-3 Catalog No: AG0017KG MDL No:
Product Description
Catalog Number:
AG0017KG
Chemical Name:
2-Cyclopenten-1-one, 2-(1-hydroxybutyl)-
CAS Number:
122617-88-3
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
2-(1-hydroxybutyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C9H14O2/c1-2-4-8(10)7-5-3-6-9(7)11/h5,8,10H,2-4,6H2,1H3
InChI Key:
PZYIFRRXMZKGLB-UHFFFAOYSA-N
SMILES:
CCCC(C1=CCCC1=O)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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