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79069-14-0 | N-Boc-L-Valinol
CAS No: 79069-14-0 Catalog No: AG003SU2 MDL No:MFCD00082635
Product Description
Catalog Number:
AG003SU2
Chemical Name:
N-Boc-L-Valinol
CAS Number:
79069-14-0
Molecular Formula:
C10H21NO3
Molecular Weight:
203.2786
MDL Number:
MFCD00082635
IUPAC Name:
tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
InChI:
InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
InChI Key:
OOQRRYDVICNJGC-MRVPVSSYSA-N
SMILES:
OC[C@H](C(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.282g/mol
Monoisotopic Mass:
203.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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