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1136884-55-3 | Benzeneacetic acid, α-amino-4-(3-pyridinyloxy)-
CAS No: 1136884-55-3 Catalog No: AG0009BC MDL No:MFCD06410001
Product Description
Catalog Number:
AG0009BC
Chemical Name:
Benzeneacetic acid, α-amino-4-(3-pyridinyloxy)-
CAS Number:
1136884-55-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD06410001
IUPAC Name:
2-amino-2-(4-pyridin-3-yloxyphenyl)acetic acid
InChI:
InChI=1S/C13H12N2O3/c14-12(13(16)17)9-3-5-10(6-4-9)18-11-2-1-7-15-8-11/h1-8,12H,14H2,(H,16,17)
InChI Key:
RLUHYCPFPHDMHY-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)Oc1cccnc1)N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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