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Home > Aldehydes > 1378782-95-6
1378782-95-6 | 3-[(iso-Propyloxy)methyl]benzaldehyde
CAS No: 1378782-95-6 Catalog No: AG01FD2S MDL No:
Product Description
Catalog Number:
AG01FD2S
Chemical Name:
3-[(iso-Propyloxy)methyl]benzaldehyde
CAS Number:
1378782-95-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3-(propan-2-yloxymethyl)benzaldehyde
InChI:
InChI=1S/C11H14O2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h3-7,9H,8H2,1-2H3
InChI Key:
ARTRGEPZDFYZBS-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)COC(C)C
Properties
Complexity:
154
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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