AG007LD0

28114-87-6 | Spiro[3.3]heptane-2-carboxylic acid

AG007LD0

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CAS Number	28114-87-6
Catalog Number	AG007LD0(AGN-PC-02RWKI)
Chemical Name	Spiro[3.3]heptane-2-carboxylic acid
IUPAC Name	spiro[3.3]heptane-2-carboxylic acid
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
MDL Number	MFCD19228416
Molecular Formula	C8H12O2
Molecular Weight	140.1797
SMILES	O=C(C1CC2(CCC2)C1)O
Synonyms	Spiro[3.3]heptane-2-carboxylic acid, 28114-87-6, SCHEMBL11636846, CTK0I5334, spiro[3.3]heptane-2-carboxylic, DTXSID10605186, FUQHLUSGMOSPRQ-UHFFFAOYSA-N, KS-000007IM, 4504AJ, MFCD19228416, ZINC59880340, AKOS006375856, ACN-041518, PB24445, AS-37787, SY098470, AB0076375, AJ-113763, CS-0048687, MFCD19228416 (95%), Q-2444, F2147-1657, C8H12O2,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.182g/mol
Monoisotopic Mass	140.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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