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119845-72-6 | 2-Propenoic acid, 2-methyl-, 2-cyanatoethyl ester
CAS No: 119845-72-6 Catalog No: AG000PS6 MDL No:
Product Description
Catalog Number:
AG000PS6
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-cyanatoethyl ester
CAS Number:
119845-72-6
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
2-cyanatoethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C7H9NO3/c1-6(2)7(9)11-4-3-10-5-8/h1,3-4H2,2H3
InChI Key:
RAURIJBUROUQRJ-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCCOC#N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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