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83816-54-0 | Benzaldehyde, 2-hydroxy-3-(1-methylpropyl)-
CAS No: 83816-54-0 Catalog No: AG004W1A MDL No:
Product Description
Catalog Number:
AG004W1A
Chemical Name:
Benzaldehyde, 2-hydroxy-3-(1-methylpropyl)-
CAS Number:
83816-54-0
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3-butan-2-yl-2-hydroxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-3-8(2)10-6-4-5-9(7-12)11(10)13/h4-8,13H,3H2,1-2H3
InChI Key:
HQVNCBQLJJGAOO-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1O)C=O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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