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216384-68-8 | 4-[(n-Butyloxy)methyl]benzaldehyde
CAS No: 216384-68-8 Catalog No: AG01FE95 MDL No:
Product Description
Catalog Number:
AG01FE95
Chemical Name:
4-[(n-Butyloxy)methyl]benzaldehyde
CAS Number:
216384-68-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-(butoxymethyl)benzaldehyde
InChI:
InChI=1S/C12H16O2/c1-2-3-8-14-10-12-6-4-11(9-13)5-7-12/h4-7,9H,2-3,8,10H2,1H3
InChI Key:
JZDFJCFCNHPQQC-UHFFFAOYSA-N
SMILES:
CCCCOCc1ccc(cc1)C=O
Properties
Complexity:
148
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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