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132839-91-9 | Propanoic acid, 3-cyano-3-hydroxy-, ethyl ester
CAS No: 132839-91-9 Catalog No: AG001194 MDL No:MFCD09833585
Product Description
Catalog Number:
AG001194
Chemical Name:
Propanoic acid, 3-cyano-3-hydroxy-, ethyl ester
CAS Number:
132839-91-9
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD09833585
IUPAC Name:
ethyl (3S)-3-cyano-3-hydroxypropanoate
InChI:
InChI=1S/C6H9NO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-3H2,1H3/t5-/m0/s1
InChI Key:
XWYWOPKTNJPXHY-YFKPBYRVSA-N
SMILES:
CCOC(=O)CC(C#N)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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