Home Other Building Blocks 2-isocyanatoethyl acetate

2-isocyanatoethyl acetate

CAS No.:
14568-37-7
Catalog Number:
AG01BVTA
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
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Product Description
Catalog Number:
AG01BVTA
Chemical Name:
2-isocyanatoethyl acetate
CAS Number:
14568-37-7
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
MDL Number:
MFCD24450505
IUPAC Name:
2-isocyanatoethyl acetate
InChI:
InChI=1S/C5H7NO3/c1-5(8)9-3-2-6-4-7/h2-3H2,1H3
InChI Key:
RVSDMDPSGIXPSN-UHFFFAOYSA-N
SMILES:
O=C=NCCOC(=O)C
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties