Home Other Building Blocks methyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate

methyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate

CAS No.:
121020-69-7
Catalog Number:
AG01C1TI
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
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Product Description
Catalog Number:
AG01C1TI
Chemical Name:
methyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate
CAS Number:
121020-69-7
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD29762674
IUPAC Name:
methyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate
InChI:
InChI=1S/C7H7NO4/c1-10-6(9)5(4-8)7-11-2-3-12-7/h2-3H2,1H3
InChI Key:
RYSQZTWXZAZOHZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C1OCCO1)C#N
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties