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142935-60-2 | 2-(Benzofuran-5-yl)acetic Acid
CAS No: 142935-60-2 Catalog No: AG003EZ5 MDL No:MFCD09925119
Product Description
Catalog Number:
AG003EZ5
Chemical Name:
2-(Benzofuran-5-yl)acetic Acid
CAS Number:
142935-60-2
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD09925119
IUPAC Name:
2-(1-benzofuran-5-yl)acetic acid
InChI:
InChI=1S/C10H8O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-5H,6H2,(H,11,12)
InChI Key:
XUTBNKYATQJDLC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)cco2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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