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251650-26-7 | 1-Penten-3-ol, 2-methyl-1-phenyl-, (1E)-
CAS No: 251650-26-7 Catalog No: AG002QPJ MDL No:
Product Description
Catalog Number:
AG002QPJ
Chemical Name:
1-Penten-3-ol, 2-methyl-1-phenyl-, (1E)-
CAS Number:
251650-26-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2-methyl-1-phenylpent-1-en-3-ol
InChI:
InChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3
InChI Key:
OWGNPUJWHVDTGC-UHFFFAOYSA-N
SMILES:
CCC(/C(=C/c1ccccc1)/C)O
Properties
Complexity:
166
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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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