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864685-64-3 | 2-Cyclopenten-1-one, 2,3,4,4-tetramethyl-5-methylene-
CAS No: 864685-64-3 Catalog No: AG004MQI MDL No:
Product Description
Catalog Number:
AG004MQI
Chemical Name:
2-Cyclopenten-1-one, 2,3,4,4-tetramethyl-5-methylene-
CAS Number:
864685-64-3
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
2,3,4,4-tetramethyl-5-methylidenecyclopent-2-en-1-one
InChI:
InChI=1S/C10H14O/c1-6-7(2)10(4,5)8(3)9(6)11/h3H2,1-2,4-5H3
InChI Key:
HPRXOWFUCCMLJF-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(C(=C)C1=O)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Necrodane monoterpenoids from Lavandula luisieri. | Phytochemistry 20050701 |
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