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187283-46-1 | 1,5-Hexadien-3-ol, 2-methyl-1-(2-methyl-4-thiazolyl)-, (1E,3S)-
CAS No: 187283-46-1 Catalog No: AG0074W6 MDL No:
Product Description
Catalog Number:
AG0074W6
Chemical Name:
1,5-Hexadien-3-ol, 2-methyl-1-(2-methyl-4-thiazolyl)-, (1E,3S)-
CAS Number:
187283-46-1
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
IUPAC Name:
(3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
InChI:
InChI=1S/C11H15NOS/c1-4-5-11(13)8(2)6-10-7-14-9(3)12-10/h4,6-7,11,13H,1,5H2,2-3H3/t11-/m0/s1
InChI Key:
SAMXUQPRBXCGFQ-NSHDSACASA-N
SMILES:
C/C(=C\c1csc(n1)C)/[C@H](CC=C)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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