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860644-63-9 | 3-(2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CAS No: 860644-63-9 Catalog No: AG00INBP MDL No:MFCD04124253
Product Description
Catalog Number:
AG00INBP
Chemical Name:
3-(2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CAS Number:
860644-63-9
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
MDL Number:
MFCD04124253
IUPAC Name:
3-(1,3-dihydroisoindol-2-yl)-3-(4-methoxyphenyl)propan-1-ol
InChI:
InChI=1S/C18H21NO2/c1-21-17-8-6-14(7-9-17)18(10-11-20)19-12-15-4-2-3-5-16(15)13-19/h2-9,18,20H,10-13H2,1H3
InChI Key:
YRSWYBTYHXZIOW-UHFFFAOYSA-N
SMILES:
OCCC(N1Cc2c(C1)cccc2)c1ccc(cc1)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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