Home Carboxys 1-isopropyl-3-pyrrolidinecarboxylic acid hydrate

1-isopropyl-3-pyrrolidinecarboxylic acid hydrate

CAS No.:
1185443-24-6
Catalog Number:
AG00J1IB
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00J1IB
Chemical Name:
1-isopropyl-3-pyrrolidinecarboxylic acid hydrate
CAS Number:
1185443-24-6
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD08060023
IUPAC Name:
1-propan-2-ylpyrrolidine-3-carboxylic acid;hydrate
InChI:
InChI=1S/C8H15NO2.H2O/c1-6(2)9-4-3-7(5-9)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H2
InChI Key:
GHEWYRZKMJPFPK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(C1)C(C)C.O
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties