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Home > Aldehydes > 161095-35-8
161095-35-8 | Benzaldehyde, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-
CAS No: 161095-35-8 Catalog No: AG001S5E MDL No:
Product Description
Catalog Number:
AG001S5E
Chemical Name:
Benzaldehyde, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-
CAS Number:
161095-35-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
3,4-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
InChI:
InChI=1S/C12H14O3/c1-8(2)3-4-10-5-9(7-13)6-11(14)12(10)15/h3,5-7,14-15H,4H2,1-2H3
InChI Key:
DIYXVDVQPLASLL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(CC=C(C)C)c(c(c1)O)O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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