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16386-46-2 | 1,3-Benzodioxol-5-ol, 5-benzoate
CAS No: 16386-46-2 Catalog No: AG001UG8 MDL No:
Product Description
Catalog Number:
AG001UG8
Chemical Name:
1,3-Benzodioxol-5-ol, 5-benzoate
CAS Number:
16386-46-2
Molecular Formula:
C14H10O4
Molecular Weight:
242.2268
IUPAC Name:
1,3-benzodioxol-5-yl benzoate
InChI:
InChI=1S/C14H10O4/c15-14(10-4-2-1-3-5-10)18-11-6-7-12-13(8-11)17-9-16-12/h1-8H,9H2
InChI Key:
QMGRLEAYWWVZRW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccc2c(c1)OCO2
UNII:
40QCA5X22M
NSC Number:
32510
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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