Home Other Building Blocks 1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate

1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate

CAS No.:
13431-57-7
Catalog Number:
AG008014
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$260
- +
1g
97%
1 week
United States
$482
- +
Product Description
Catalog Number:
AG008014
Chemical Name:
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate
CAS Number:
13431-57-7
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00461943
IUPAC Name:
(3-acetyloxy-2,2-dimethylpropyl) acetate
InChI:
InChI=1S/C9H16O4/c1-7(10)12-5-9(3,4)6-13-8(2)11/h5-6H2,1-4H3
InChI Key:
ZFFGZCTVZNNVLP-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(COC(=O)C)(C)C
EC Number:
826-122-1
UNII:
78L90CO7ZF
NSC Number:
69071
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties