AG00H0XP

889944-57-4 | 6-Oxospiro[3.3]heptane-2-carboxylic acid

AG00H0XP

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CAS Number	889944-57-4
Catalog Number	AG00H0XP(AGN-PC-0WAC2O)
Chemical Name	6-Oxospiro[3.3]heptane-2-carboxylic acid
IUPAC Name	2-oxospiro[3.3]heptane-6-carboxylic acid
InChI	InChI=1S/C8H10O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5H,1-4H2,(H,10,11)
InChI Key	FGDRQRQOJRZARK-UHFFFAOYSA-N
MDL Number	MFCD08436470
Molecular Formula	C8H10O3
Molecular Weight	154.1632
SMILES	C(=O)(O)C1CC2(C1)CC(=O)C2
Synonyms	6-oxospiro[3.3]heptane-2-carboxylic acid, 889944-57-4, AC1Q74CK, SCHEMBL13735122, CTK7H2949, DTXSID50652816, FGDRQRQOJRZARK-UHFFFAOYSA-N, 6-oxospiro[3.3]heptane-2-..., KS-000008DU, MFCD08436470, ZINC26438550, AKOS000319880, DS-6597, MCULE-7080718005, PB27918, RP09166, AJ-82295, AK130145, SC-51791, AB0082728, RT-010703, ST1070426, 6-Oxospiro(3,3,)heptanes-2-carboxylic acid, AM20070627, CS-0043956, FT-0686054, EN300-55420, C-8282, J-518977, F2124-1191, Z414834508, 889944-57-4 6-oxospiro[3.3]heptane-2-carboxylic acid, R139,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.165g/mol
Monoisotopic Mass	154.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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