Home Aldehydes 2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde

2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde

CAS No.:
54903-15-0
Catalog Number:
AG019FZC
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
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Product Description
Catalog Number:
AG019FZC
Chemical Name:
2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde
CAS Number:
54903-15-0
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD17170733
IUPAC Name:
2-oxo-3H-1,3-benzoxazole-6-carbaldehyde
InChI:
InChI=1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-4H,(H,9,11)
InChI Key:
IMJHZVCEOBDHMM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)oc(=O)[nH]2
NSC Number:
690679
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties