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1445-70-1 | Benzoic acid, 2-(4,5-dihydro-2-oxazolyl)-
CAS No: 1445-70-1 Catalog No: AG001JNA MDL No:
Product Description
Catalog Number:
AG001JNA
Chemical Name:
Benzoic acid, 2-(4,5-dihydro-2-oxazolyl)-
CAS Number:
1445-70-1
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
2-(4,5-dihydro-1,3-oxazol-2-yl)benzoic acid
InChI:
InChI=1S/C10H9NO3/c12-10(13)8-4-2-1-3-7(8)9-11-5-6-14-9/h1-4H,5-6H2,(H,12,13)
InChI Key:
DZFBFNPCGOQZRB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C1=NCCO1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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