2-(Dihydro-2H-pyran-4(3H)-ylidene)acetic Acid - CAS 130312-01-5
Catalog: |
BB007082 |
Product Name: |
2-(Dihydro-2H-pyran-4(3H)-ylidene)acetic Acid |
CAS: |
130312-01-5 |
Synonyms: |
2-(4-oxanylidene)acetic acid; 2-(oxan-4-ylidene)acetic acid |
IUPAC Name: | 2-(oxan-4-ylidene)acetic acid |
Description: | 2-(Dihydro-2H-pyran-4(3H)-ylidene)acetic Acid (CAS# 130312-01-5) is a useful research chemical. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1COCCC1=CC(=O)O |
InChI: | InChI=1S/C7H10O3/c8-7(9)5-6-1-3-10-4-2-6/h5H,1-4H2,(H,8,9) |
InChI Key: | SSVVDDQZKYQWJI-UHFFFAOYSA-N |
Boiling Point: | 310.6 °C at 760 mmHg |
Density: | 1.3 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD04114347 |
LogP: | 0.80780 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021004547-A1 | Heterocyclic compounds as inhibitors of hpk1 | 20190711 |
CA-3042877-A1 | Tricyclic sulfones as ror gamma modulators | 20161109 |
EP-3541786-A1 | Tricyclic sulfones as ror gamma modulators | 20161109 |
JP-2020512300-A | Tricyclic sulfones as ROR gamma regulators | 20161109 |
US-10435369-B2 | Tricyclic sulfones as ROR gamma modulators | 20161109 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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