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944687-29-0 | (4-tert-butylphenyl)(thiophen-2-yl)methanol
CAS No: 944687-29-0 Catalog No: AG00YRMT MDL No:MFCD07775488
Product Description
Catalog Number:
AG00YRMT
Chemical Name:
(4-tert-butylphenyl)(thiophen-2-yl)methanol
CAS Number:
944687-29-0
Molecular Formula:
C15H18OS
Molecular Weight:
246.3678
MDL Number:
MFCD07775488
IUPAC Name:
(4-tert-butylthiophen-2-yl)-phenylmethanol
InChI:
InChI=1S/C15H18OS/c1-15(2,3)12-9-13(17-10-12)14(16)11-7-5-4-6-8-11/h4-10,14,16H,1-3H3
InChI Key:
GGFFTUIQFCZTJB-UHFFFAOYSA-N
SMILES:
OC(c1cccs1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.368g/mol
Monoisotopic Mass:
246.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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