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885277-59-8 | tert-Butyl 2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CAS No: 885277-59-8 Catalog No: AG0045FP MDL No:MFCD08059328
Product Description
Catalog Number:
AG0045FP
Chemical Name:
tert-Butyl 2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Number:
885277-59-8
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD08059328
IUPAC Name:
tert-butyl 2,5-bis(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-8(6-13)4-5-9(12)7-14/h8-9,13-14H,4-7H2,1-3H3
InChI Key:
VBQFMICMBHKUSL-UHFFFAOYSA-N
SMILES:
OCC1CCC(N1C(=O)OC(C)(C)C)CO
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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