Home Other Building Blocks 2-(Cyclobutylmethyl)malonic acid

2-(Cyclobutylmethyl)malonic acid

CAS No.:
1010422-67-9
Catalog Number:
AG019F1V
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$357
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Product Description
Catalog Number:
AG019F1V
Chemical Name:
2-(Cyclobutylmethyl)malonic acid
CAS Number:
1010422-67-9
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD20644070
IUPAC Name:
2-(cyclobutylmethyl)propanedioic acid
InChI:
InChI=1S/C8H12O4/c9-7(10)6(8(11)12)4-5-2-1-3-5/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChI Key:
BEFGISLZPBHJDH-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)CC1CCC1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties