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18986-09-9 | Benzaldehyde, 4-(3-methylbutoxy)-
CAS No: 18986-09-9 Catalog No: AG002E20 MDL No:MFCD02254125
Product Description
Catalog Number:
AG002E20
Chemical Name:
Benzaldehyde, 4-(3-methylbutoxy)-
CAS Number:
18986-09-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD02254125
IUPAC Name:
4-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H16O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
WWBHAIFPHGGVCW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCC(C)C
NSC Number:
69106
Properties
Complexity:
158
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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