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1284734-56-0 | 3,4-(Ethylenedioxy)phenyl-(2-pyridyl)methanol
CAS No: 1284734-56-0 Catalog No: AG01FAAE MDL No:
Product Description
Catalog Number:
AG01FAAE
Chemical Name:
3,4-(Ethylenedioxy)phenyl-(2-pyridyl)methanol
CAS Number:
1284734-56-0
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl(phenyl)methanol
InChI:
InChI=1S/C14H13NO3/c16-13(10-4-2-1-3-5-10)12-14-11(6-7-15-12)17-8-9-18-14/h1-7,13,16H,8-9H2
InChI Key:
HIMUINWZYMMMOH-UHFFFAOYSA-N
SMILES:
OC(c1ccc2c(c1)OCCO2)c1ccccn1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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