Home Aldehydes Benzaldehyde, 5-methyl-2-(1-methylethoxy)-

Benzaldehyde, 5-methyl-2-(1-methylethoxy)-

CAS No.:
610797-22-3
Catalog Number:
AG00IASX
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG00IASX
Chemical Name:
Benzaldehyde, 5-methyl-2-(1-methylethoxy)-
CAS Number:
610797-22-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD18331386
IUPAC Name:
5-methyl-2-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-8(2)13-11-5-4-9(3)6-10(11)7-12/h4-8H,1-3H3
InChI Key:
JEDRISFAJMTQLC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1OC(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  
Properties