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97389-25-8 | 3-(4-HYDROXYPHENYL)-1,3-OXAZOLIDIN-2-ONE
CAS No: 97389-25-8 Catalog No: AG005ZNA MDL No:MFCD11054003
Product Description
Catalog Number:
AG005ZNA
Chemical Name:
3-(4-HYDROXYPHENYL)-1,3-OXAZOLIDIN-2-ONE
CAS Number:
97389-25-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD11054003
IUPAC Name:
3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C9H9NO3/c11-8-3-1-7(2-4-8)10-5-6-13-9(10)12/h1-4,11H,5-6H2
InChI Key:
NIIQAHPHBGULNH-UHFFFAOYSA-N
SMILES:
O=C1OCCN1c1ccc(cc1)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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