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93472-62-9 | Phenol, 4-(4,5-dihydro-2-oxazolyl)-, hydrochloride
CAS No: 93472-62-9 Catalog No: AG0062LG MDL No:
Product Description
Catalog Number:
AG0062LG
Chemical Name:
Phenol, 4-(4,5-dihydro-2-oxazolyl)-, hydrochloride
CAS Number:
93472-62-9
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride
InChI:
InChI=1S/C9H9NO2.ClH/c11-8-3-1-7(2-4-8)9-10-5-6-12-9;/h1-4,11H,5-6H2;1H
InChI Key:
ZTZHBZMXSFNSNY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=NCCO1.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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