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1605-00-1 | Cyclobutanone, 2,4-dimethyl-, (2R,4S)-rel-
CAS No: 1605-00-1 Catalog No: AG001RZ2 MDL No:
Product Description
Catalog Number:
AG001RZ2
Chemical Name:
Cyclobutanone, 2,4-dimethyl-, (2R,4S)-rel-
CAS Number:
1605-00-1
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
IUPAC Name:
(2S,4R)-2,4-dimethylcyclobutan-1-one
InChI:
InChI=1S/C6H10O/c1-4-3-5(2)6(4)7/h4-5H,3H2,1-2H3/t4-,5+
InChI Key:
DJYHNXPUOPESJN-SYDPRGILSA-N
SMILES:
C[C@@H]1C[C@@H](C1=O)C
Properties
Complexity:
86.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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