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1001354-49-9 | L-Proline, 4-cyano-, (4S)-
CAS No: 1001354-49-9 Catalog No: AG00011R MDL No:MFCD11035910
Product Description
Catalog Number:
AG00011R
Chemical Name:
L-Proline, 4-cyano-, (4S)-
CAS Number:
1001354-49-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD11035910
IUPAC Name:
(2S,4S)-4-cyanopyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c7-2-4-1-5(6(9)10)8-3-4/h4-5,8H,1,3H2,(H,9,10)/t4-,5+/m1/s1
InChI Key:
ZMDXRGOZLRLRQN-UHNVWZDZSA-N
SMILES:
N#C[C@@H]1CN[C@@H](C1)C(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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