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440123-65-9 | 2-Chloro-4-hydroxybenzoic acid hydrate
CAS No: 440123-65-9 Catalog No: AG003GXD MDL No:MFCD00798116
Product Description
Catalog Number:
AG003GXD
Chemical Name:
2-Chloro-4-hydroxybenzoic acid hydrate
CAS Number:
440123-65-9
Molecular Formula:
C7H7ClO4
Molecular Weight:
190.5811
MDL Number:
MFCD00798116
IUPAC Name:
2-chloro-4-hydroxybenzoic acid;hydrate
InChI:
InChI=1S/C7H5ClO3.H2O/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3,9H,(H,10,11);1H2
InChI Key:
LVNLXWMDILTYQC-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)C(=O)O.O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.579g/mol
Monoisotopic Mass:
190.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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