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115464-36-3 | Acetic acid, 2-[3-(aminomethyl)phenoxy]-
CAS No: 115464-36-3 Catalog No: AG000G1C MDL No:MFCD11587786
Product Description
Catalog Number:
AG000G1C
Chemical Name:
Acetic acid, 2-[3-(aminomethyl)phenoxy]-
CAS Number:
115464-36-3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD11587786
IUPAC Name:
2-[3-(aminomethyl)phenoxy]acetic acid
InChI:
InChI=1S/C9H11NO3/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChI Key:
IGWUVOUCIOITSX-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)OCC(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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