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70548-90-2 | Benzoic acid, 4-[(1-oxo-2-propenyl)oxy]-, phenyl ester
CAS No: 70548-90-2 Catalog No: AG005I4D MDL No:
Product Description
Catalog Number:
AG005I4D
Chemical Name:
Benzoic acid, 4-[(1-oxo-2-propenyl)oxy]-, phenyl ester
CAS Number:
70548-90-2
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
phenyl 4-prop-2-enoyloxybenzoate
InChI:
InChI=1S/C16H12O4/c1-2-15(17)19-14-10-8-12(9-11-14)16(18)20-13-6-4-3-5-7-13/h2-11H,1H2
InChI Key:
SNLMOIAMOXTSGA-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc(cc1)C(=O)Oc1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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