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112635-07-1 | Propanedial, (6-methoxy-2-benzoxazolyl)-
CAS No: 112635-07-1 Catalog No: AG0079GV MDL No:
Product Description
Catalog Number:
AG0079GV
Chemical Name:
Propanedial, (6-methoxy-2-benzoxazolyl)-
CAS Number:
112635-07-1
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
2-(6-methoxy-1,3-benzoxazol-2-yl)propanedial
InChI:
InChI=1S/C11H9NO4/c1-15-8-2-3-9-10(4-8)16-11(12-9)7(5-13)6-14/h2-7H,1H3
InChI Key:
QUIYUXXBYJFCIE-UHFFFAOYSA-N
SMILES:
O=CC(c1nc2c(o1)cc(cc2)OC)C=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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