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2-(Dihydro-2H-pyran-4(3H)-ylidene)acetic Acid

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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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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

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