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138330-01-5 | Phenol, 4-(4-methyl-2-thiazolyl)-
CAS No: 138330-01-5 Catalog No: AG0018KK MDL No:MFCD07339172
Product Description
Catalog Number:
AG0018KK
Chemical Name:
Phenol, 4-(4-methyl-2-thiazolyl)-
CAS Number:
138330-01-5
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD07339172
IUPAC Name:
4-(4-methyl-1,3-thiazol-2-yl)phenol
InChI:
InChI=1S/C10H9NOS/c1-7-6-13-10(11-7)8-2-4-9(12)5-3-8/h2-6,12H,1H3
InChI Key:
KYCMBRIDHHFYQX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1scc(n1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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