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Home > Aldehydes > 199743-06-1
199743-06-1 | Benzaldehyde, 3-methyl-4-(1-methylethoxy)-
CAS No: 199743-06-1 Catalog No: AG01DNJX MDL No:MFCD12547898
Product Description
Catalog Number:
AG01DNJX
Chemical Name:
Benzaldehyde, 3-methyl-4-(1-methylethoxy)-
CAS Number:
199743-06-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD12547898
IUPAC Name:
3-methyl-4-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-8(2)13-11-5-4-10(7-12)6-9(11)3/h4-8H,1-3H3
InChI Key:
KZJHTRBYWPKCCX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)OC(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:
3
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