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18962-05-5 | Benzaldehyde, 4-(1-methylethoxy)-
CAS No: 18962-05-5 Catalog No: AG002DSZ MDL No:MFCD00052357
Product Description
Catalog Number:
AG002DSZ
Chemical Name:
Benzaldehyde, 4-(1-methylethoxy)-
CAS Number:
18962-05-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00052357
IUPAC Name:
4-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChI Key:
WDANSDASCKBVKH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(C)C
NSC Number:
69072
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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