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24569-60-6 | Benzenepropanal, α-ethyl-
CAS No: 24569-60-6 Catalog No: AG002OLN MDL No:
Product Description
Catalog Number:
AG002OLN
Chemical Name:
Benzenepropanal, α-ethyl-
CAS Number:
24569-60-6
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
2-benzylbutanal
InChI:
InChI=1S/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChI Key:
ROPNSYBZOVTZBB-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1)C=O
NSC Number:
160526
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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