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91040-52-7 | tert-Butyl pyrrolidine-3-carboxylate
CAS No: 91040-52-7 Catalog No: AG003ULB MDL No:MFCD07375442
Product Description
Catalog Number:
AG003ULB
Chemical Name:
tert-Butyl pyrrolidine-3-carboxylate
CAS Number:
91040-52-7
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD07375442
IUPAC Name:
tert-butyl pyrrolidine-3-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3
InChI Key:
XWAHLXHVEMYNMY-UHFFFAOYSA-N
SMILES:
O=C(C1CNCC1)OC(C)(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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