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89505-58-8 | Benzaldehyde, 2,4-dihydroxy-3,5-dimethyl-6-(2-oxopropyl)-
CAS No: 89505-58-8 Catalog No: AG00415F MDL No:
Product Description
Catalog Number:
AG00415F
Chemical Name:
Benzaldehyde, 2,4-dihydroxy-3,5-dimethyl-6-(2-oxopropyl)-
CAS Number:
89505-58-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
2,4-dihydroxy-3,5-dimethyl-6-(2-oxopropyl)benzaldehyde
InChI:
InChI=1S/C12H14O4/c1-6(14)4-9-7(2)11(15)8(3)12(16)10(9)5-13/h5,15-16H,4H2,1-3H3
InChI Key:
HOTZZGMAPDUZIS-UHFFFAOYSA-N
SMILES:
O=Cc1c(CC(=O)C)c(C)c(c(c1O)C)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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