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Home > Aldehydes > 181035-65-4
181035-65-4 | Benzaldehyde, 2-methoxy-4-(1-methylethyl)-
CAS No: 181035-65-4 Catalog No: AG0022N3 MDL No:
Product Description
Catalog Number:
AG0022N3
Chemical Name:
Benzaldehyde, 2-methoxy-4-(1-methylethyl)-
CAS Number:
181035-65-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-methoxy-4-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-8(2)9-4-5-10(7-12)11(6-9)13-3/h4-8H,1-3H3
InChI Key:
BNWZDXYRMCZZMR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C=O)C(C)C
Properties
Complexity:
166
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 2-hydroxy-4-isopropylbenzaldehyde, a potent partial tyrosinase inhibitor. | Bioorganic & medicinal chemistry letters 20040209 |
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