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Home > Aldehydes > 682748-19-2
682748-19-2 | BENZALDEHYDE, 4-(1-METHYLENEPROPYL)-
CAS No: 682748-19-2 Catalog No: AG005XFG MDL No:
Product Description
Catalog Number:
AG005XFG
Chemical Name:
BENZALDEHYDE, 4-(1-METHYLENEPROPYL)-
CAS Number:
682748-19-2
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
4-but-1-en-2-ylbenzaldehyde
InChI:
InChI=1S/C11H12O/c1-3-9(2)11-6-4-10(8-12)5-7-11/h4-8H,2-3H2,1H3
InChI Key:
XSLKVHNWHHJAGI-UHFFFAOYSA-N
SMILES:
CCC(=C)c1ccc(cc1)C=O
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:
0
XLogP3:
3.2
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