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1260643-86-4 | 2-Furanacetic acid, α-amino-5-(hydroxymethyl)-
CAS No: 1260643-86-4 Catalog No: AG000QXD MDL No:
Product Description
Catalog Number:
AG000QXD
Chemical Name:
2-Furanacetic acid, α-amino-5-(hydroxymethyl)-
CAS Number:
1260643-86-4
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
IUPAC Name:
2-amino-2-[5-(hydroxymethyl)furan-2-yl]acetic acid
InChI:
InChI=1S/C7H9NO4/c8-6(7(10)11)5-2-1-4(3-9)12-5/h1-2,6,9H,3,8H2,(H,10,11)
InChI Key:
XOEZQTBIWBNSKY-UHFFFAOYSA-N
SMILES:
OCc1ccc(o1)C(C(=O)O)N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.152g/mol
Monoisotopic Mass:
171.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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