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89018-66-6 | Propanoic acid, 3-isocyanato-2-methyl-, methyl ester
CAS No: 89018-66-6 Catalog No: AG0044DJ MDL No:
Product Description
Catalog Number:
AG0044DJ
Chemical Name:
Propanoic acid, 3-isocyanato-2-methyl-, methyl ester
CAS Number:
89018-66-6
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
IUPAC Name:
methyl 3-isocyanato-2-methylpropanoate
InChI:
InChI=1S/C6H9NO3/c1-5(3-7-4-8)6(9)10-2/h5H,3H2,1-2H3
InChI Key:
WKNXJYHXMRRPRQ-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC)CN=C=O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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