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119031-30-0

119031-30-0 | Butanoic acid, 2-(hydroxyphenylmethylene)-3-oxo-, ethyl ester, (E)- (9CI)

CAS No: 119031-30-0 Catalog No: AG000P49 MDL No:

Product Description

Catalog Number:
AG000P49
Chemical Name:
Butanoic acid, 2-(hydroxyphenylmethylene)-3-oxo-, ethyl ester, (E)- (9CI)
CAS Number:
119031-30-0
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
ethyl 2-[hydroxy(phenyl)methylidene]-3-oxobutanoate
InChI:
InChI=1S/C13H14O4/c1-3-17-13(16)11(9(2)14)12(15)10-7-5-4-6-8-10/h4-8,15H,3H2,1-2H3
InChI Key:
QYSSENGHZAEAOV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(\c1ccccc1)/O)/C(=O)C

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.4  

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