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139091-98-8 | Benzenamine, 4-[(3,6-dihydro-4-methyl-2H-pyran-3-yl)oxy]-
CAS No: 139091-98-8 Catalog No: AG001A96 MDL No:
Product Description
Catalog Number:
AG001A96
Chemical Name:
Benzenamine, 4-[(3,6-dihydro-4-methyl-2H-pyran-3-yl)oxy]-
CAS Number:
139091-98-8
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
4-[(4-methyl-3,6-dihydro-2H-pyran-3-yl)oxy]aniline
InChI:
InChI=1S/C12H15NO2/c1-9-6-7-14-8-12(9)15-11-4-2-10(13)3-5-11/h2-6,12H,7-8,13H2,1H3
InChI Key:
UNCCHEKJDIUEIS-UHFFFAOYSA-N
SMILES:
CC1=CCOCC1Oc1ccc(cc1)N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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