Home Other Building Blocks 5-Acetylvaleric acid

5-Acetylvaleric acid

CAS No.:
3128-07-2
Catalog Number:
AG00346F
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$14
- +
5g
98%
1 week
United States
$53
- +
25g
98%
1 week
United States
$221
- +
Product Description
Catalog Number:
AG00346F
Chemical Name:
5-Acetylvaleric acid
CAS Number:
3128-07-2
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00051479
IUPAC Name:
6-oxoheptanoic acid
InChI:
InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChI Key:
IZOQMUVIDMLRDC-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCC(=O)O
EC Number:
221-512-2
UNII:
4U902I8QZO
NSC Number:
167591
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties