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Chemical Product CAS:2134-91-01,3-Benzenedicarboxylicacid, 4-hydroxy-5-methoxy-

1,3-Benzenedicarboxylicacid, 4-hydroxy-5-methoxy-

  • CAS No:

  • Name:

    1,3-Benzenedicarboxylicacid, 4-hydroxy-5-methoxy-
  • Molecular Formula:

    C9H8 O6
  • Molecular Weight:

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1,3-Benzenedicarboxylicacid, 4-hydroxy-5-meth ( CASNO:2134-91-0 )

Identification and Related Records
1,3-Benzenedicarboxylicacid, 4-hydroxy-5-methoxy-
CAS Registry number:
Iupac name:
4-hydroxy-5-methoxybenzene-1,3-dicarboxylic acid
Isophthalicacid, 4-hydroxy-5-methoxy- (6CI,7CI,8CI)
4-Hydroxy-5-methoxyisophthalic acid
5-Carboxyvanillic acid
Molecular Formula:
C9H8 O6
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
4.29E-09mmHg at 25°C
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:212.15622 [g/mol]
Molecular Formula:C9H8O6
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:3
Tautomer Count:6
Exact Mass:212.032088
MonoIsotopic Mass:212.032088
Topological Polar Surface Area:104
Heavy Atom Count:15
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:1
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:5
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