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3,3-Difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic Acid

3,3-Difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic Acid - CAS 501435-61-6

Catalog:	BB026934
Product Name:	3,3-Difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic Acid
CAS:	501435-61-6
Synonyms:	3,3-difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic acid; 3,3-difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,3-difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
Description:	3,3-Difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoic Acid (CAS# 501435-61-6 ) is a useful research chemical.
Molecular Weight:	232.18
Molecular Formula:	C10H10F2O4
Canonical SMILES:	COC1=CC=C(C=C1)C(C(C(=O)O)O)(F)F
InChI:	InChI=1S/C10H10F2O4/c1-16-7-4-2-6(3-5-7)10(11,12)8(13)9(14)15/h2-5,8,13H,1H3,(H,14,15)
InChI Key:	ILHZBDNSEQAZCX-UHFFFAOYSA-N
LogP:	1.23250

Publication Number	Title	Priority Date
AU-7080900-A	Substituted alpha-hydroxy acid caspase inhibitors and the use thereof	19990827
AU-775291-B2	Substituted alpha-hydroxy acid caspase inhibitors and the use thereof	19990827
CA-2383002-A1	Substituted .alpha.-hydroxy acid caspase inhibitors and the use thereof	19990827
EP-1212295-A1	SUBSTITUTED $g(a)-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF	19990827
EP-1212295-B1	Substituted alpha-hydroxy acid caspase inhibitors and the use thereof	19990827

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.05471512
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.05471512
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3