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136880-96-1

136880-96-1 | L-Proline,3-(2-propenyl)-, trans- (9CI)

CAS No: 136880-96-1 Catalog No: AG0012IZ MDL No:

Product Description

Catalog Number:
AG0012IZ
Chemical Name:
L-Proline,3-(2-propenyl)-, trans- (9CI)
CAS Number:
136880-96-1
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
(2S,3S)-3-prop-2-enylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c1-2-3-6-4-5-9-7(6)8(10)11/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7-/m0/s1
InChI Key:
TWPAYONCYJOPLY-BQBZGAKWSA-N
SMILES:
OC(=O)[C@H]1NCC[C@@H]1CC=C

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

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