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13610-55-4 | 3(2H)-Benzoxazolepropanenitrile,2-oxo-
CAS No: 13610-55-4 Catalog No: AG00808X MDL No:MFCD00052165
Product Description
Catalog Number:
AG00808X
Chemical Name:
3(2H)-Benzoxazolepropanenitrile,2-oxo-
CAS Number:
13610-55-4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00052165
IUPAC Name:
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
InChI:
InChI=1S/C10H8N2O2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,7H2
InChI Key:
CAVKDMJWXRXNJH-UHFFFAOYSA-N
SMILES:
N#CCCn1c(=O)oc2c1cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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