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76799-25-2 | 3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carbaldehyde
CAS No: 76799-25-2 Catalog No: AG01AUZ1 MDL No:MFCD01939448
Product Description
Catalog Number:
AG01AUZ1
Chemical Name:
3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carbaldehyde
CAS Number:
76799-25-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD01939448
IUPAC Name:
3-methyl-2-oxo-1,3-benzoxazole-5-carbaldehyde
InChI:
InChI=1S/C9H7NO3/c1-10-7-4-6(5-11)2-3-8(7)13-9(10)12/h2-5H,1H3
InChI Key:
REYHUPOYMVCTTA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)n(C)c(=O)o2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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