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113520-43-7 | Benzeneacetic acid, 3-(aminomethyl)-
CAS No: 113520-43-7 Catalog No: AG0008VN MDL No:MFCD08275113
Product Description
Catalog Number:
AG0008VN
Chemical Name:
Benzeneacetic acid, 3-(aminomethyl)-
CAS Number:
113520-43-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD08275113
IUPAC Name:
2-[3-(aminomethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChI Key:
OMILONVYAUZURK-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)CC(=O)O
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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