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77832-42-9 | 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propynyl)-, (R)-
CAS No: 77832-42-9 Catalog No: AG0057FD MDL No:
Product Description
Catalog Number:
AG0057FD
Chemical Name:
2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propynyl)-, (R)-
CAS Number:
77832-42-9
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
(4R)-4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one
InChI:
InChI=1S/C9H10O2/c1-3-4-7-6(2)8(10)5-9(7)11/h1,8,10H,4-5H2,2H3/t8-/m1/s1
InChI Key:
ISFGTDAAYLSOFY-MRVPVSSYSA-N
SMILES:
C#CCC1=C(C)[C@@H](CC1=O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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