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128427-10-1 | Carbamic acid, N-[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 128427-10-1 Catalog No: AG000Y3F MDL No:MFCD03093946
Product Description
Catalog Number:
AG000Y3F
Chemical Name:
Carbamic acid, N-[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
128427-10-1
Molecular Formula:
C9H19NO4
Molecular Weight:
205.2515
MDL Number:
MFCD03093946
IUPAC Name:
tert-butyl N-[(2S)-1,4-dihydroxybutan-2-yl]carbamate
InChI:
InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m0/s1
InChI Key:
KLRRFBSWOIUAHZ-ZETCQYMHSA-N
SMILES:
OCC[C@H](NC(=O)OC(C)(C)C)CO
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.254g/mol
Monoisotopic Mass:
205.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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