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19022-43-6 | Benzeneacetic acid, α,2-dihydroxy-, ion(1-)
CAS No: 19022-43-6 Catalog No: AG002EEW MDL No:
Product Description
Catalog Number:
AG002EEW
Chemical Name:
Benzeneacetic acid, α,2-dihydroxy-, ion(1-)
CAS Number:
19022-43-6
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
IUPAC Name:
2-hydroxy-2-(2-hydroxyphenyl)acetate
InChI:
InChI=1S/C8H8O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1
InChI Key:
TWLSOWAQVSIFIF-UHFFFAOYSA-M
SMILES:
OC(=O)C(c1ccccc1O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.034g/mol
Formal Charge:
-1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.14g/mol
Monoisotopic Mass:
167.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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