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885272-90-2 | [2-(3,4-DIMETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL
CAS No: 885272-90-2 Catalog No: AG00GS42 MDL No:MFCD06738567
Product Description
Catalog Number:
AG00GS42
Chemical Name:
[2-(3,4-DIMETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL
CAS Number:
885272-90-2
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD06738567
IUPAC Name:
[2-(3,4-dimethylphenyl)-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C12H13NO2/c1-8-3-4-10(5-9(8)2)12-13-11(6-14)7-15-12/h3-5,7,14H,6H2,1-2H3
InChI Key:
HLHNWHIIDFGLQO-UHFFFAOYSA-N
SMILES:
OCc1coc(n1)c1ccc(c(c1)C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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