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100012-67-7 | Benzoic acid, 2-hydroxy-, 2-[(1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS No: 100012-67-7 Catalog No: AG0000AF MDL No:
Product Description
Catalog Number:
AG0000AF
Chemical Name:
Benzoic acid, 2-hydroxy-, 2-[(1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS Number:
100012-67-7
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
2-prop-2-enoyloxyethyl 2-hydroxybenzoate
InChI:
InChI=1S/C12H12O5/c1-2-11(14)16-7-8-17-12(15)9-5-3-4-6-10(9)13/h2-6,13H,1,7-8H2
InChI Key:
PHYRSPFFFIPRNC-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOC(=O)c1ccccc1O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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