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157020-88-7 | Cyclobutanone, 3-(1,3-benzodioxol-5-ylmethyl)-
CAS No: 157020-88-7 Catalog No: AG001P56 MDL No:
Product Description
Catalog Number:
AG001P56
Chemical Name:
Cyclobutanone, 3-(1,3-benzodioxol-5-ylmethyl)-
CAS Number:
157020-88-7
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
3-(1,3-benzodioxol-5-ylmethyl)cyclobutan-1-one
InChI:
InChI=1S/C12H12O3/c13-10-4-9(5-10)3-8-1-2-11-12(6-8)15-7-14-11/h1-2,6,9H,3-5,7H2
InChI Key:
AWAOUJUBBHDZRM-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)Cc1ccc2c(c1)OCO2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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