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117721-78-5 | 2-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-, (2E)-
CAS No: 117721-78-5 Catalog No: AG000HPI MDL No:
Product Description
Catalog Number:
AG000HPI
Chemical Name:
2-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-, (2E)-
CAS Number:
117721-78-5
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
3-(4-tert-butylphenyl)-2-methylprop-2-en-1-ol
InChI:
InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-9,15H,10H2,1-4H3
InChI Key:
VADDFWORRHVZMM-UHFFFAOYSA-N
SMILES:
OC/C(=C/c1ccc(cc1)C(C)(C)C)/C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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