Spiro[3.3]heptane-2-carboxylic Acid - CAS 28114-87-6

Catalog:	BB019768
Product Name:	Spiro[3.3]heptane-2-carboxylic Acid
CAS:	28114-87-6
Synonyms:	2-spiro[3.3]heptanecarboxylic acid; spiro[3.3]heptane-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	spiro[3.3]heptane-2-carboxylic acid
Description:	Spiro[3.3]heptane-2-carboxylic Acid (CAS# 28114-87-6) is a useful research chemical.
Molecular Weight:	140.18
Molecular Formula:	C8H12O2
Canonical SMILES:	C1CC2(C1)CC(C2)C(=O)O
InChI:	InChI=1S/C8H12O2/c9-7(10)6-4-8(5-6)2-1-3-8/h6H,1-5H2,(H,9,10)
InChI Key:	FUQHLUSGMOSPRQ-UHFFFAOYSA-N
Appearance:	Pale-yellow to yellow-brown liquid
LogP:	1.65130

Publication Number	Title	Priority Date
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021188959-A1	Prodrugs of 4'-c-substituted-2-halo-2'-deoxyadenosine nucleosides and methods of making and using the same	20200320
WO-2021064189-A2	Prostaglandin e2 (pge2) ep4 receptor antagonists	20191002
WO-2021018237-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20190731
WO-2020255017-A1	Combination of hepatitis b virus (hbv) vaccines and dihydropyrimidine derivatives as capsid assembly modulators	20190618

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.083729621
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8