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89985-86-4

89985-86-4 | tert-Butyl [(1R)-1-(hydroxymethyl)prop-2-en-1-yl]carbamate

CAS No: 89985-86-4 Catalog No: AG0039U8 MDL No:MFCD19688626

Product Description

Catalog Number:
AG0039U8
Chemical Name:
tert-Butyl [(1R)-1-(hydroxymethyl)prop-2-en-1-yl]carbamate
CAS Number:
89985-86-4
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD19688626
IUPAC Name:
tert-butyl N-[(2R)-1-hydroxybut-3-en-2-yl]carbamate
InChI:
InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,10,12)/t7-/m1/s1
InChI Key:
HYVYNSIWYIWTCK-SSDOTTSWSA-N
SMILES:
OC[C@H](NC(=O)OC(C)(C)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:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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