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87543-80-4 | Ethyl 2-isocyanato-3-phenylpropionate, 98%
CAS No: 87543-80-4 Catalog No: AG003Q4E MDL No:MFCD00082663
Product Description
Catalog Number:
AG003Q4E
Chemical Name:
Ethyl 2-isocyanato-3-phenylpropionate, 98%
CAS Number:
87543-80-4
MDL Number:
MFCD00082663
IUPAC Name:
ethyl 2-isocyanato-3-phenylpropanoate
InChI:
InChI=1S/C12H13NO3/c1-2-16-12(15)11(13-9-14)8-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3
InChI Key:
LHLIGPDDSKJRQN-UHFFFAOYSA-N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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