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148694-03-5 | 2-Cyclopenten-1-one, 2-(hydroxymethyl)-3-methyl-
CAS No: 148694-03-5 Catalog No: AG001L4I MDL No:
Product Description
Catalog Number:
AG001L4I
Chemical Name:
2-Cyclopenten-1-one, 2-(hydroxymethyl)-3-methyl-
CAS Number:
148694-03-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
2-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C7H10O2/c1-5-2-3-7(9)6(5)4-8/h8H,2-4H2,1H3
InChI Key:
VBOYONXEJMSAAT-UHFFFAOYSA-N
SMILES:
OCC1=C(C)CCC1=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/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
Literature
| Title | Journal |
|---|---|
| Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20. | Journal of natural products 20060901 |
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