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Home > Aldehydes > 832097-02-6
832097-02-6 | Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)-
CAS No: 832097-02-6 Catalog No: AG0058OG MDL No:
Product Description
Catalog Number:
AG0058OG
Chemical Name:
Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)-
CAS Number:
832097-02-6
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
IUPAC Name:
3-chloro-2-hydroxy-5-(hydroxymethyl)benzaldehyde
InChI:
InChI=1S/C8H7ClO3/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-2,4,10,12H,3H2
InChI Key:
XZYGUVYNSYTWJM-UHFFFAOYSA-N
SMILES:
OCc1cc(C=O)c(c(c1)Cl)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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