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42731-39-5 | sodium 3-oxo-3-phenylprop-1-en-1-olate
CAS No: 42731-39-5 Catalog No: AG01FI2X MDL No:
Product Description
Catalog Number:
AG01FI2X
Chemical Name:
sodium 3-oxo-3-phenylprop-1-en-1-olate
CAS Number:
42731-39-5
Molecular Formula:
C9H7NaO2
Molecular Weight:
170.1405
IUPAC Name:
sodium;(E)-3-oxo-3-phenylprop-1-en-1-olate
InChI:
InChI=1S/C9H8O2.Na/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-7,10H;/q;+1/p-1/b7-6+;
InChI Key:
PEVYPQDPWKPGJN-UHDJGPCESA-M
SMILES:
[O-]C=CC(=O)c1ccccc1.[Na+]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
170.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.143g/mol
Monoisotopic Mass:
170.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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