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Home > Aldehydes > 263172-85-6
263172-85-6 | Benzaldehyde, 2-hydroxy-5-methyl-3-(1-methyl-1-phenylethyl)-
CAS No: 263172-85-6 Catalog No: AG002SP1 MDL No:
Product Description
Catalog Number:
AG002SP1
Chemical Name:
Benzaldehyde, 2-hydroxy-5-methyl-3-(1-methyl-1-phenylethyl)-
CAS Number:
263172-85-6
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
2-hydroxy-5-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
InChI:
InChI=1S/C17H18O2/c1-12-9-13(11-18)16(19)15(10-12)17(2,3)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChI Key:
CIGPHDKXXQLVBV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1O)C(c1ccccc1)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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