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116662-96-5 | Carbamic acid, N-[(1R)-1-formyl-3-methylbutyl]-, 1,1-dimethylethyl ester
CAS No: 116662-96-5 Catalog No: AG000CYI MDL No:MFCD09751783
Product Description
Catalog Number:
AG000CYI
Chemical Name:
Carbamic acid, N-[(1R)-1-formyl-3-methylbutyl]-, 1,1-dimethylethyl ester
CAS Number:
116662-96-5
Molecular Formula:
C11H21NO3
Molecular Weight:
215.2893
MDL Number:
MFCD09751783
IUPAC Name:
tert-butyl N-[(2R)-4-methyl-1-oxopentan-2-yl]carbamate
InChI:
InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1
InChI Key:
RQSBRFZHUKLKNO-SECBINFHSA-N
SMILES:
O=C[C@H](NC(=O)OC(C)(C)C)CC(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.293g/mol
Monoisotopic Mass:
215.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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