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204570-75-2 | 4-Pentenal, 3-methylene-5-phenyl-, (4E)-
CAS No: 204570-75-2 Catalog No: AG0029KQ MDL No:
Product Description
Catalog Number:
AG0029KQ
Chemical Name:
4-Pentenal, 3-methylene-5-phenyl-, (4E)-
CAS Number:
204570-75-2
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
3-methylidene-5-phenylpent-4-enal
InChI:
InChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-8,10H,1,9H2
InChI Key:
LTOLCSGRJHEAJF-UHFFFAOYSA-N
SMILES:
O=CCC(=C)/C=C/c1ccccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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