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113525-94-3 | Carbamic acid, N-(2-hydroxy-4-penten-1-yl)-, 1,1-dimethylethyl ester
CAS No: 113525-94-3 Catalog No: AG0008WI MDL No:
Product Description
Catalog Number:
AG0008WI
Chemical Name:
Carbamic acid, N-(2-hydroxy-4-penten-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
113525-94-3
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
IUPAC Name:
tert-butyl N-(2-hydroxypent-4-enyl)carbamate
InChI:
InChI=1S/C10H19NO3/c1-5-6-8(12)7-11-9(13)14-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)
InChI Key:
CUBFXTHXOZAQIJ-UHFFFAOYSA-N
SMILES:
C=CCC(CNC(=O)OC(C)(C)C)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.266g/mol
Monoisotopic Mass:
201.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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