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247098-17-5 | Butanoic acid, 3-cyano-2-ethyl-3-hydroxy-, ethyl ester
CAS No: 247098-17-5 Catalog No: AG002P4B MDL No:
Product Description
Catalog Number:
AG002P4B
Chemical Name:
Butanoic acid, 3-cyano-2-ethyl-3-hydroxy-, ethyl ester
CAS Number:
247098-17-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
ethyl 3-cyano-2-ethyl-3-hydroxybutanoate
InChI:
InChI=1S/C9H15NO3/c1-4-7(8(11)13-5-2)9(3,12)6-10/h7,12H,4-5H2,1-3H3
InChI Key:
HTIIZCVGZUEJQM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C#N)(O)C)CC
EC Number:
607-423-5
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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