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28467-92-7 | Butanal, 2-(phenylmethylene)-
CAS No: 28467-92-7 Catalog No: AG002VE4 MDL No:
Product Description
Catalog Number:
AG002VE4
Chemical Name:
Butanal, 2-(phenylmethylene)-
CAS Number:
28467-92-7
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
2-benzylidenebutanal
InChI:
InChI=1S/C11H12O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChI Key:
BOCRJYUZWIOMOJ-UHFFFAOYSA-N
SMILES:
CCC(=Cc1ccccc1)C=O
EC Number:
249-037-6
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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