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84473-23-4 | 3-Buten-2-ol, 4-(2,4,6-trimethylphenyl)-, (E)-
CAS No: 84473-23-4 Catalog No: AG004S2S MDL No:
Product Description
Catalog Number:
AG004S2S
Chemical Name:
3-Buten-2-ol, 4-(2,4,6-trimethylphenyl)-, (E)-
CAS Number:
84473-23-4
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
4-(2,4,6-trimethylphenyl)but-3-en-2-ol
InChI:
InChI=1S/C13H18O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-8,12,14H,1-4H3
InChI Key:
ZJFCIKGDWHASJI-UHFFFAOYSA-N
SMILES:
CC(/C=C/c1c(C)cc(cc1C)C)O
Properties
Complexity:
185
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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