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75776-61-3 | L-Proline,4,4-diethoxy-
CAS No: 75776-61-3 Catalog No: AG005IEM MDL No:
Product Description
Catalog Number:
AG005IEM
Chemical Name:
L-Proline,4,4-diethoxy-
CAS Number:
75776-61-3
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
IUPAC Name:
(2S)-4,4-diethoxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H17NO4/c1-3-13-9(14-4-2)5-7(8(11)12)10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1
InChI Key:
XYZNAPXKDLKKRG-ZETCQYMHSA-N
SMILES:
CCOC1(OCC)CN[C@@H](C1)C(=O)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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