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259818-63-8 | Benzeneacetic acid, 3-(aminomethyl)-, ethyl ester
CAS No: 259818-63-8 Catalog No: AG002RA8 MDL No:
Product Description
Catalog Number:
AG002RA8
Chemical Name:
Benzeneacetic acid, 3-(aminomethyl)-, ethyl ester
CAS Number:
259818-63-8
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
ethyl 2-[3-(aminomethyl)phenyl]acetate
InChI:
InChI=1S/C11H15NO2/c1-2-14-11(13)7-9-4-3-5-10(6-9)8-12/h3-6H,2,7-8,12H2,1H3
InChI Key:
SPKAOLHFGAAPTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)CN
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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