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855595-16-3 | 1,3-Propanediol, 2-amino-1-(4-methoxyphenyl)-, (1R,2R)-
CAS No: 855595-16-3 Catalog No: AG004R2I MDL No:
Product Description
Catalog Number:
AG004R2I
Chemical Name:
1,3-Propanediol, 2-amino-1-(4-methoxyphenyl)-, (1R,2R)-
CAS Number:
855595-16-3
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
(1R,2R)-2-amino-1-(4-methoxyphenyl)propane-1,3-diol
InChI:
InChI=1S/C10H15NO3/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m1/s1
InChI Key:
PFBZAUKDPDFYLR-NXEZZACHSA-N
SMILES:
OC[C@H]([C@@H](c1ccc(cc1)OC)O)N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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