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115980-18-2 | 1,4-Benzodioxin, 2,3-dihydro-2-[(methylphenoxy)methyl]- (9CI)
CAS No: 115980-18-2 Catalog No: AG000H9Z MDL No:
Product Description
Catalog Number:
AG000H9Z
Chemical Name:
1,4-Benzodioxin, 2,3-dihydro-2-[(methylphenoxy)methyl]- (9CI)
CAS Number:
115980-18-2
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
3-[(2-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C16H16O3/c1-12-6-2-3-7-14(12)17-10-13-11-18-15-8-4-5-9-16(15)19-13/h2-9,13H,10-11H2,1H3
InChI Key:
KTENNJKXILZIRY-UHFFFAOYSA-N
SMILES:
Cc1ccccc1OCC1COc2c(O1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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