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89200-15-7 | 2-Butenenitrile, 4-(1-oxopropoxy)-3-[(1-oxopropoxy)methyl]-
CAS No: 89200-15-7 Catalog No: AG00457L MDL No:
Product Description
Catalog Number:
AG00457L
Chemical Name:
2-Butenenitrile, 4-(1-oxopropoxy)-3-[(1-oxopropoxy)methyl]-
CAS Number:
89200-15-7
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
[3-cyano-2-(propanoyloxymethyl)prop-2-enyl] propanoate
InChI:
InChI=1S/C11H15NO4/c1-3-10(13)15-7-9(5-6-12)8-16-11(14)4-2/h5H,3-4,7-8H2,1-2H3
InChI Key:
MDQHOLWOZGTHRR-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC(=CC#N)COC(=O)CC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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