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89667-05-0 | Benzaldehyde, 3-pentyl-
CAS No: 89667-05-0 Catalog No: AG0088LR MDL No:
Product Description
Catalog Number:
AG0088LR
Chemical Name:
Benzaldehyde, 3-pentyl-
CAS Number:
89667-05-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
3-pentylbenzaldehyde
InChI:
InChI=1S/C12H16O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-10H,2-4,6H2,1H3
InChI Key:
MMXWSGFLBUSQPQ-UHFFFAOYSA-N
SMILES:
CCCCCc1cccc(c1)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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