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750643-46-0 | Benzaldehyde,2,4,6-trihydroxy-3-(3-methylbutyl)-
CAS No: 750643-46-0 Catalog No: AG008O4F MDL No:
Product Description
Catalog Number:
AG008O4F
Chemical Name:
Benzaldehyde,2,4,6-trihydroxy-3-(3-methylbutyl)-
CAS Number:
750643-46-0
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
2,4,6-trihydroxy-3-(3-methylbutyl)benzaldehyde
InChI:
InChI=1S/C12H16O4/c1-7(2)3-4-8-10(14)5-11(15)9(6-13)12(8)16/h5-7,14-16H,3-4H2,1-2H3
InChI Key:
CDHOMNZFUWMGJB-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)cc(c(c1O)CCC(C)C)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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