Home Carboxys Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate

Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate

CAS No.:
192436-84-3
Catalog Number:
AG00I2V8
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$300
- +
5g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00I2V8
Chemical Name:
Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
CAS Number:
192436-84-3
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD20662144
IUPAC Name:
methyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H17NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChI Key:
OITFEJDUSSGRIH-CIUDSAMLSA-N
SMILES:
COC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties