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Home > Aldehydes > 124300-57-8
124300-57-8 | Benzaldehyde, 2-(1E)-1,3-butadien-1-yl-
CAS No: 124300-57-8 Catalog No: AG000LTZ MDL No:
Product Description
Catalog Number:
AG000LTZ
Chemical Name:
Benzaldehyde, 2-(1E)-1,3-butadien-1-yl-
CAS Number:
124300-57-8
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
IUPAC Name:
2-buta-1,3-dienylbenzaldehyde
InChI:
InChI=1S/C11H10O/c1-2-3-6-10-7-4-5-8-11(10)9-12/h2-9H,1H2
InChI Key:
CMFAYGXRJXBNMM-UHFFFAOYSA-N
SMILES:
C=C/C=C/c1ccccc1C=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.2g/mol
Monoisotopic Mass:
158.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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