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Home Carboxys (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid

(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid

CAS No.:
80875-98-5
Catalog Number:
AG003BOW
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$113
- +
100g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003BOW
Chemical Name:
(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
CAS Number:
80875-98-5
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD07782125
IUPAC Name:
(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
InChI Key:
CQYBNXGHMBNGCG-FXQIFTODSA-N
SMILES:
OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
EC Number:
617-180-7
UNII:
9ID44U804I
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties