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54730-30-2 | Benzaldehyde,4-hydroxy-3-(3-methyl-2-buten-1-yl)-
CAS No: 54730-30-2 Catalog No: AG01F9DP MDL No:
Product Description
Catalog Number:
AG01F9DP
Chemical Name:
Benzaldehyde,4-hydroxy-3-(3-methyl-2-buten-1-yl)-
CAS Number:
54730-30-2
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
4-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde
InChI:
InChI=1S/C12H14O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h3-4,6-8,14H,5H2,1-2H3
InChI Key:
XHFURSFUHFDPTB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)CC=C(C)C)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Biosynthesis of fomannoxin in the root rotting pathogen Heterobasidion occidentale. | Phytochemistry 20121201 |
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