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Home Carbonyls 4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid

4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid

CAS No.:
72653-14-6
Catalog Number:
AG005Q61
Molecular Formula:
C12H18O7
Molecular Weight:
274.2671
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$37
- +
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$243
- +
10g
95%
In Stock USA
United States
$436
- +
Product Description
Catalog Number:
AG005Q61
Chemical Name:
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
CAS Number:
72653-14-6
Molecular Formula:
C12H18O7
Molecular Weight:
274.2671
MDL Number:
MFCD00052373
IUPAC Name:
4-acetyl-4-ethoxycarbonylheptanedioic acid
InChI:
InChI=1S/C12H18O7/c1-3-19-11(18)12(8(2)13,6-4-9(14)15)7-5-10(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
OYYWSHUPASUUHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)(CCC(=O)O)CCC(=O)O
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.105g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.269g/mol
Monoisotopic Mass:
274.105g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties