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4541-32-6 | 2,2-Dimethylcyclopentanone
CAS No: 4541-32-6 Catalog No: AG003984 MDL No:MFCD00049164
Product Description
Catalog Number:
AG003984
Chemical Name:
2,2-Dimethylcyclopentanone
CAS Number:
4541-32-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00049164
IUPAC Name:
2,2-dimethylcyclopentan-1-one
InChI:
InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3
InChI Key:
FTGZMZBYOHMEPS-UHFFFAOYSA-N
SMILES:
O=C1CCCC1(C)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis of C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation, especially biological effect on bone by modification at the C-2 position. | Organic & biomolecular chemistry 20110521 |
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