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117721-77-4 | 2-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-, (E)- (9CI)
CAS No: 117721-77-4 Catalog No: AG000HPJ MDL No:
Product Description
Catalog Number:
AG000HPJ
Chemical Name:
2-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-, (E)- (9CI)
CAS Number:
117721-77-4
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
3-(4-tert-butylphenyl)prop-2-en-1-ol
InChI:
InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-9,14H,10H2,1-3H3
InChI Key:
RPMMXQDNPXDFDN-UHFFFAOYSA-N
SMILES:
OC/C=C/c1ccc(cc1)C(C)(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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