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1192-33-2 | Cyclobutanone, 3,3-dimethyl-
CAS No: 1192-33-2 Catalog No: AG000ICO MDL No:MFCD22054450
Product Description
Catalog Number:
AG000ICO
Chemical Name:
Cyclobutanone, 3,3-dimethyl-
CAS Number:
1192-33-2
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD22054450
IUPAC Name:
3,3-dimethylcyclobutan-1-one
InChI:
InChI=1S/C6H10O/c1-6(2)3-5(7)4-6/h3-4H2,1-2H3
InChI Key:
QKBARYIIIXIZGP-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)(C)C
Properties
Complexity:
92.7
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:
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:
0.9
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