| CAS Number | 933254-03-6 |
| Catalog Number | AG01C6EK |
| Chemical Name | 2-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid |
| IUPAC Name | 2-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid |
| InChI | InChI=1S/C10H11NO3/c12-10(13)5-7-6-14-9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6H2,(H,12,13) |
| InChI Key | OTZNXWOCCYEHDW-UHFFFAOYSA-N |
| MDL Number | MFCD21875263 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | O=C(O)CC1COC2=CC=CC=C2N1 |
| Synonyms | 933254-03-6,
2-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid,
SCHEMBL7298355,
AKOS022529395,
F1907-0637,
2-(3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)acetic acid,
2h-1,4-benzoxazine-3-acetic acid, 3,4-dihydro,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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