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Home Other Building Blocks 4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone

4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone

CAS No.:
150019-57-1
Catalog Number:
AG001M9D
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$175
- +
1g
97%
In Stock USA
United States
$419
- +
5g
97%
In Stock USA
United States
$1563
- +
Product Description
Catalog Number:
AG001M9D
Chemical Name:
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone
CAS Number:
150019-57-1
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
MDL Number:
MFCD09800394
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexan-1-one
InChI:
InChI=1S/C13H14O4/c14-10-3-5-13(15,6-4-10)9-1-2-11-12(7-9)17-8-16-11/h1-2,7,15H,3-6,8H2
InChI Key:
ISBCBGZLNXQEEF-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(O)c1ccc2c(c1)OCO2
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties