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1263078-26-7 | L-Proline, 4-(1,1-dimethylethoxy)-1-(1-methylethyl)-, (4S)-
CAS No: 1263078-26-7 Catalog No: AG000SIP MDL No:
Product Description
Catalog Number:
AG000SIP
Chemical Name:
L-Proline, 4-(1,1-dimethylethoxy)-1-(1-methylethyl)-, (4S)-
CAS Number:
1263078-26-7
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
IUPAC Name:
(2S,4S)-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H23NO3/c1-8(2)13-7-9(16-12(3,4)5)6-10(13)11(14)15/h8-10H,6-7H2,1-5H3,(H,14,15)/t9-,10-/m0/s1
InChI Key:
VZEYXTGROKSICK-UWVGGRQHSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H](CN1C(C)C)OC(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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