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10258-54-5 | Acetic acid, 2-cyano-, 2-methoxyethyl ester
CAS No: 10258-54-5 Catalog No: AG0007TB MDL No:MFCD00071550
Product Description
Catalog Number:
AG0007TB
Chemical Name:
Acetic acid, 2-cyano-, 2-methoxyethyl ester
CAS Number:
10258-54-5
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD00071550
IUPAC Name:
2-methoxyethyl 2-cyanoacetate
InChI:
InChI=1S/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3
InChI Key:
SGLKIEOMYXTGBH-UHFFFAOYSA-N
SMILES:
COCCOC(=O)CC#N
EC Number:
233-597-3
UNII:
UT9YIO537F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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