Home Other Building Blocks 1,3-BUTANEDIOL DIACETATE

1,3-BUTANEDIOL DIACETATE

CAS No.:
1117-31-3
Catalog Number:
AG003DIC
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95+%
1 week
United States
$9
- +
Product Description
Catalog Number:
AG003DIC
Chemical Name:
1,3-BUTANEDIOL DIACETATE
CAS Number:
1117-31-3
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00008710
IUPAC Name:
3-acetyloxybutyl acetate
InChI:
InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
InChI Key:
MPAGVACEWQNVQO-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC(OC(=O)C)C
EC Number:
214-244-2
NSC Number:
67338
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties