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Home > Aldehydes > 1378657-49-8
1378657-49-8 | 4-[(sec-Butyloxy)methyl]benzaldehyde
CAS No: 1378657-49-8 Catalog No: AG01FDIW MDL No:
Product Description
Catalog Number:
AG01FDIW
Chemical Name:
4-[(sec-Butyloxy)methyl]benzaldehyde
CAS Number:
1378657-49-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-(butan-2-yloxymethyl)benzaldehyde
InChI:
InChI=1S/C12H16O2/c1-3-10(2)14-9-12-6-4-11(8-13)5-7-12/h4-8,10H,3,9H2,1-2H3
InChI Key:
IPMDNVQZVIYOQS-UHFFFAOYSA-N
SMILES:
CCC(OCc1ccc(cc1)C=O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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