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1245648-84-3 | Carbamic acid, N-(5-oxo-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
CAS No: 1245648-84-3 Catalog No: AG000MCA MDL No:MFCD17677321
Product Description
Catalog Number:
AG000MCA
Chemical Name:
Carbamic acid, N-(5-oxo-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1245648-84-3
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD17677321
IUPAC Name:
tert-butyl N-(5-oxopyrrolidin-3-yl)carbamate
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)
InChI Key:
PFHVTCWJHBHEFA-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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