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88349-61-5 | 3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-
CAS No: 88349-61-5 Catalog No: AG0045Z9 MDL No:
Product Description
Catalog Number:
AG0045Z9
Chemical Name:
3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-
CAS Number:
88349-61-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
4-ethoxy-3-pyridin-4-ylbut-3-en-2-one
InChI:
InChI=1S/C11H13NO2/c1-3-14-8-11(9(2)13)10-4-6-12-7-5-10/h4-8H,3H2,1-2H3
InChI Key:
IATKKGJZTHMRBF-UHFFFAOYSA-N
SMILES:
CCOC=C(c1ccncc1)C(=O)C
EC Number:
289-405-3
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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