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77268-18-9 | 2-Propenoyl isocyanate, 3-methoxy-2-methyl-
CAS No: 77268-18-9 Catalog No: AG005D31 MDL No:
Product Description
Catalog Number:
AG005D31
Chemical Name:
2-Propenoyl isocyanate, 3-methoxy-2-methyl-
CAS Number:
77268-18-9
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
3-methoxy-2-methylprop-2-enoyl isocyanate
InChI:
InChI=1S/C6H7NO3/c1-5(3-10-2)6(9)7-4-8/h3H,1-2H3
InChI Key:
OGEBHPIBLCFCQS-UHFFFAOYSA-N
SMILES:
COC=C(C(=O)N=C=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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