Home Aldehydes 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde

4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde

CAS No.:
1018584-77-4
Catalog Number:
AG01DUWX
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
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Product Description
Catalog Number:
AG01DUWX
Chemical Name:
4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde
CAS Number:
1018584-77-4
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD10036257
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde
InChI:
InChI=1S/C8H9NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h5H,1-4H2
InChI Key:
OBILEGQRRXMNDZ-UHFFFAOYSA-N
SMILES:
O=Cc1noc2c1CCCC2
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties