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157035-77-3 | Carbamic acid, N-[(1S)-2-hydroxy-2-methyl-1-(1-methylethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 157035-77-3 Catalog No: AG001P60 MDL No:
Product Description
Catalog Number:
AG001P60
Chemical Name:
Carbamic acid, N-[(1S)-2-hydroxy-2-methyl-1-(1-methylethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
157035-77-3
Molecular Formula:
C12H25NO3
Molecular Weight:
231.3318
IUPAC Name:
tert-butyl N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]carbamate
InChI:
InChI=1S/C12H25NO3/c1-8(2)9(12(6,7)15)13-10(14)16-11(3,4)5/h8-9,15H,1-7H3,(H,13,14)/t9-/m0/s1
InChI Key:
AWLRFWWWKJXWTQ-VIFPVBQESA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(O)(C)C)C(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.336g/mol
Monoisotopic Mass:
231.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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