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13668-59-2 | 2-Cyclopentene-1-methanol
CAS No: 13668-59-2 Catalog No: AG00127H MDL No:MFCD28404983
Product Description
Catalog Number:
AG00127H
Chemical Name:
2-Cyclopentene-1-methanol
CAS Number:
13668-59-2
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD28404983
IUPAC Name:
cyclopent-2-en-1-ylmethanol
InChI:
InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h1,3,6-7H,2,4-5H2
InChI Key:
LMYOLOWXQDLHKQ-UHFFFAOYSA-N
SMILES:
OCC1CCC=C1
NSC Number:
249807
Properties
Complexity:
76.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Regioselective synthesis of alpha-methyl 2-methyleneglutarate via a novel lactonization-elimination rearrangement. | The Journal of organic chemistry 20060106 |
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