Home Other Building Blocks tert-butyl 4-isocyanatobutanoate

tert-butyl 4-isocyanatobutanoate

CAS No.:
76197-90-5
Catalog Number:
AG01B5QU
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG01B5QU
Chemical Name:
tert-butyl 4-isocyanatobutanoate
CAS Number:
76197-90-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD24451067
IUPAC Name:
tert-butyl 4-isocyanatobutanoate
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)5-4-6-10-7-11/h4-6H2,1-3H3
InChI Key:
SKOSBBQOIJQBGE-UHFFFAOYSA-N
SMILES:
O=C=NCCCC(=O)OC(C)(C)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties