Home Other Building Blocks tert-butyl 3-isocyanatopropanoate

tert-butyl 3-isocyanatopropanoate

CAS No.:
884504-55-6
Catalog Number:
AG01BE92
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01BE92
Chemical Name:
tert-butyl 3-isocyanatopropanoate
CAS Number:
884504-55-6
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD00079726
IUPAC Name:
tert-butyl 3-isocyanatopropanoate
InChI:
InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)4-5-9-6-10/h4-5H2,1-3H3
InChI Key:
IFNFFMRMBNUHNE-UHFFFAOYSA-N
SMILES:
O=C=NCCC(=O)OC(C)(C)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties