Home Other Building Blocks ETHYL 2-ISOCYANATO-3-METHYLBUTYRATE, 97

ETHYL 2-ISOCYANATO-3-METHYLBUTYRATE, 97

CAS No.:
5296-78-6
Catalog Number:
AG003Q4D
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003Q4D
Chemical Name:
ETHYL 2-ISOCYANATO-3-METHYLBUTYRATE, 97
CAS Number:
5296-78-6
IUPAC Name:
ethyl 2-isocyanato-3-methylbutanoate
InChI:
InChI=1S/C8H13NO3/c1-4-12-8(11)7(6(2)3)9-5-10/h6-7H,4H2,1-3H3
InChI Key:
LXPOIQVGVGYFJA-UHFFFAOYSA-N
Properties
Complexity:
195  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties