5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1780189-83-4
Catalog: |
BB013373 |
Product Name: |
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one |
CAS: |
1780189-83-4 |
Synonyms: |
5-methoxy-1,4-dihydro-3,1-benzoxazin-2-one; 5-methoxy-1,4-dihydro-3,1-benzoxazin-2-one |
IUPAC Name: | 5-methoxy-1,4-dihydro-3,1-benzoxazin-2-one |
Description: | 5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1780189-83-4 ) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | COC1=CC=CC2=C1COC(=O)N2 |
InChI: | InChI=1S/C9H9NO3/c1-12-8-4-2-3-7-6(8)5-13-9(11)10-7/h2-4H,5H2,1H3,(H,10,11) |
InChI Key: | BEBQTRXESIKUSA-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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