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144598-40-3 | Propanedioic acid, 2-hydroxy-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-
CAS No: 144598-40-3 Catalog No: AG001JTK MDL No:
Product Description
Catalog Number:
AG001JTK
Chemical Name:
Propanedioic acid, 2-hydroxy-2-[4-[(tetrahydro-2-furanyl)methoxy]phenyl]-
CAS Number:
144598-40-3
Molecular Formula:
C14H16O7
Molecular Weight:
296.2726
IUPAC Name:
2-hydroxy-2-[4-(oxolan-2-ylmethoxy)phenyl]propanedioic acid
InChI:
InChI=1S/C14H16O7/c15-12(16)14(19,13(17)18)9-3-5-10(6-4-9)21-8-11-2-1-7-20-11/h3-6,11,19H,1-2,7-8H2,(H,15,16)(H,17,18)
InChI Key:
ISQNCHGVORARBU-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)OCC1CCCO1)(C(=O)O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.275g/mol
Monoisotopic Mass:
296.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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