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29096-99-9 | 2-Propenoic acid, 2-cyano-3-ethoxy-, methyl ester
CAS No: 29096-99-9 Catalog No: AG002XAB MDL No:
Product Description
Catalog Number:
AG002XAB
Chemical Name:
2-Propenoic acid, 2-cyano-3-ethoxy-, methyl ester
CAS Number:
29096-99-9
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
methyl (E)-2-cyano-3-ethoxyprop-2-enoate
InChI:
InChI=1S/C7H9NO3/c1-3-11-5-6(4-8)7(9)10-2/h5H,3H2,1-2H3/b6-5+
InChI Key:
FYXVHJJZGRTONS-AATRIKPKSA-N
SMILES:
CCOC=C(C(=O)OC)C#N
EC Number:
249-432-3
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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