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141972-48-7 | 2-Buten-1-ol, 2-methyl-3-(4-methylphenyl)-
CAS No: 141972-48-7 Catalog No: AG001HHB MDL No:
Product Description
Catalog Number:
AG001HHB
Chemical Name:
2-Buten-1-ol, 2-methyl-3-(4-methylphenyl)-
CAS Number:
141972-48-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2-methyl-3-(4-methylphenyl)but-2-en-1-ol
InChI:
InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h4-7,13H,8H2,1-3H3
InChI Key:
FUNSDMHTKMPIAH-UHFFFAOYSA-N
SMILES:
OCC(=C(c1ccc(cc1)C)C)C
Properties
Complexity:
185
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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