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1666-00-8 | Benzaldehyde, 2-hydroxy-6-methyl-3-(1-methylethyl)-
CAS No: 1666-00-8 Catalog No: AG001WUS MDL No:
Product Description
Catalog Number:
AG001WUS
Chemical Name:
Benzaldehyde, 2-hydroxy-6-methyl-3-(1-methylethyl)-
CAS Number:
1666-00-8
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-hydroxy-6-methyl-3-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h4-7,13H,1-3H3
InChI Key:
KBHBGCGYQBSXRO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)ccc(c1O)C(C)C
Properties
Complexity:
177
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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