Home Carboxys 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

CAS No.:
83249-10-9
Catalog Number:
AG0057I0
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95+%
1 week
United States
$59
- +
5g
95+%
1 week
United States
$167
- +
Product Description
Catalog Number:
AG0057I0
Chemical Name:
3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CAS Number:
83249-10-9
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD20638314
IUPAC Name:
3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10)
InChI Key:
UJZHYIMESNWEQA-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC(C1)(C2)C(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties