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76978-38-6 | 4-Penten-1-ol, 5-(4-methylphenyl)-, (4E)-
CAS No: 76978-38-6 Catalog No: AG0057A8 MDL No:
Product Description
Catalog Number:
AG0057A8
Chemical Name:
4-Penten-1-ol, 5-(4-methylphenyl)-, (4E)-
CAS Number:
76978-38-6
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
5-(4-methylphenyl)pent-4-en-1-ol
InChI:
InChI=1S/C12H16O/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h3,5-9,13H,2,4,10H2,1H3
InChI Key:
BQANUJYSXSTOTQ-UHFFFAOYSA-N
SMILES:
OCCC/C=C/c1ccc(cc1)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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