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Home > Aldehydes > 886498-96-0
886498-96-0 | 3-Chloro-2-hydroxy-5-isopropyl-benzaldehyde
CAS No: 886498-96-0 Catalog No: AG01EYDA MDL No:
Product Description
Catalog Number:
AG01EYDA
Chemical Name:
3-Chloro-2-hydroxy-5-isopropyl-benzaldehyde
CAS Number:
886498-96-0
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
3-chloro-2-hydroxy-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H11ClO2/c1-6(2)7-3-8(5-12)10(13)9(11)4-7/h3-6,13H,1-2H3
InChI Key:
RROTUKFHYOMQKE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)Cl)C(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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