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627901-95-5 | [2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
CAS No: 627901-95-5 Catalog No: AG01BOZH MDL No:MFCD30499737
Product Description
Catalog Number:
AG01BOZH
Chemical Name:
[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
CAS Number:
627901-95-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD30499737
IUPAC Name:
[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
InChI:
InChI=1S/C12H13NO3/c1-8-11(7-14)16-12(13-8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3
InChI Key:
QMNOBFPZRCXQNV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(c(o1)CO)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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