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Home > Aldehydes > 115787-51-4
115787-51-4 | Benzaldehyde, 5-(2-chloroacetyl)-2-hydroxy-
CAS No: 115787-51-4 Catalog No: AG000GVK MDL No:
Product Description
Catalog Number:
AG000GVK
Chemical Name:
Benzaldehyde, 5-(2-chloroacetyl)-2-hydroxy-
CAS Number:
115787-51-4
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
5-(2-chloroacetyl)-2-hydroxybenzaldehyde
InChI:
InChI=1S/C9H7ClO3/c10-4-9(13)6-1-2-8(12)7(3-6)5-11/h1-3,5,12H,4H2
InChI Key:
FSRMZXYUHOTEOH-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(c(c1)C=O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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