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893736-68-0 | Methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl) benzoate
CAS No: 893736-68-0 Catalog No: AG01F8N4 MDL No:
Product Description
Catalog Number:
AG01F8N4
Chemical Name:
Methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl) benzoate
CAS Number:
893736-68-0
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzoate
InChI:
InChI=1S/C16H14O4/c1-18-16(17)13-5-3-2-4-12(13)11-6-7-14-15(10-11)20-9-8-19-14/h2-7,10H,8-9H2,1H3
InChI Key:
NNBMSSREFKYWPZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1ccc2c(c1)OCCO2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/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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