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1820571-30-9 | L-Proline, 4-methoxy-1-(1-methylethyl)-, (4S)-
CAS No: 1820571-30-9 Catalog No: AG0023B0 MDL No:
Product Description
Catalog Number:
AG0023B0
Chemical Name:
L-Proline, 4-methoxy-1-(1-methylethyl)-, (4S)-
CAS Number:
1820571-30-9
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
(2S,4S)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H17NO3/c1-6(2)10-5-7(13-3)4-8(10)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChI Key:
CXGLHRMLUPYMGT-YUMQZZPRSA-N
SMILES:
CO[C@@H]1CN([C@@H](C1)C(=O)O)C(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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