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769873-06-5 | Benzenemethanol,3-(acetyloxy)-a-(aminomethyl)-
CAS No: 769873-06-5 Catalog No: AG005F96 MDL No:
Product Description
Catalog Number:
AG005F96
Chemical Name:
Benzenemethanol,3-(acetyloxy)-a-(aminomethyl)-
CAS Number:
769873-06-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
[3-(2-amino-1-hydroxyethyl)phenyl] acetate
InChI:
InChI=1S/C10H13NO3/c1-7(12)14-9-4-2-3-8(5-9)10(13)6-11/h2-5,10,13H,6,11H2,1H3
InChI Key:
WSBVRODCMDOKCH-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1)OC(=O)C)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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