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175660-79-4 | Benzenemethanol, 2-[(2S)-2-aminopropoxy]-3-methyl-
CAS No: 175660-79-4 Catalog No: AG002134 MDL No:
Product Description
Catalog Number:
AG002134
Chemical Name:
Benzenemethanol, 2-[(2S)-2-aminopropoxy]-3-methyl-
CAS Number:
175660-79-4
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
IUPAC Name:
[2-[(2S)-2-aminopropoxy]-3-methylphenyl]methanol
InChI:
InChI=1S/C11H17NO2/c1-8-4-3-5-10(6-13)11(8)14-7-9(2)12/h3-5,9,13H,6-7,12H2,1-2H3/t9-/m0/s1
InChI Key:
XMJYSMLLWRQQAE-VIFPVBQESA-N
SMILES:
OCc1cccc(c1OC[C@@H](N)C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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