200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 12261-99-3
12261-99-3 | Cyclohexanone, (1,3-benzodioxol-5-ylmethyl)- (9CI)
CAS No: 12261-99-3 Catalog No: AG0017JV MDL No:
Product Description
Catalog Number:
AG0017JV
Chemical Name:
Cyclohexanone, (1,3-benzodioxol-5-ylmethyl)- (9CI)
CAS Number:
12261-99-3
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-one
InChI:
InChI=1S/C14H16O3/c15-12-4-2-1-3-11(12)7-10-5-6-13-14(8-10)17-9-16-13/h5-6,8,11H,1-4,7,9H2
InChI Key:
OSKIADHYNKFIHB-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Cc1ccc2c(c1)OCO2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.