AG005BOQ

7439-33-0 | trans-Cyclobutane-1,3-dicarboxylic acid

AG005BOQ

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CAS Number	7439-33-0
Catalog Number	AG005BOQ(AGN-PC-0OHG4H)
Chemical Name	trans-Cyclobutane-1,3-dicarboxylic acid
IUPAC Name	cyclobutane-1,3-dicarboxylic acid
InChI	InChI=1S/C6H8O4/c7-5(8)3-1-4(2-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChI Key	WYHYNUWZLKTEEY-UHFFFAOYSA-N
MDL Number	MFCD12402316
Molecular Formula	C6H8O4
Molecular Weight	144.1253
SMILES	O=C([C@H]1C[C@H](C(O)=O)C1)O
Synonyms	cyclobutane-1,3-dicarboxylic acid, trans-cyclobutane-1,3-dicarboxylic acid, cis-Cyclobutane-1,3-dicarboxylic acid, 62184-63-8, 7439-33-0, 2398-16-5, 1,3-cyclobutanedicarboxylic acid, 1,3-Cyclobutanedicarboxylic acid, cis-, PubChem21107, 1,3-Cyclobutanedicarboxylic acid, trans-, AC1L3AWU, SCHEMBL375124, AC1Q71D6, AC1Q71D8, SCHEMBL5349667, SCHEMBL8204743, CHEMBL2068759, SCHEMBL17407790, AMCB00001, AMCB00011, CTK1A6337, CTK2H0219, CTK7I6688, KS-00000PHV, DTXSID90178702, 1,3-cyclobutane-dicarboxylic acid, WYHYNUWZLKTEEY-JPYJGEKTSA-N, WYHYNUWZLKTEEY-UHFFFAOYSA-N, WYHYNUWZLKTEEY-ZXZARUISSA-N, KS-000000OK, ZINC5133268, ANW-46055, cis-1,3-Cyclobutanedicarboxylic acid, MFCD11099894, MFCD12402316, MFCD16038546, 1,3-Cyclobutanedicarboxylicacid, cis-, AKOS006221696, AKOS006239830, AKOS006377404, ZINC100025373, ZINC100026616, AM85850, AM85897, DS-6032, MCULE-2423808428, NE61034, trans-1,3-Cyclobutanedicarboxylic acid, 1alpha,3beta-Cyclobutanedicarboxylic acid, 1alpha,3alpha-Cyclobutanedicarboxylic acid, AJ-53231, AK129138, AS-36447, BC667349, QC-10945, SC-69990, DB-022394, ST2406747, ST2414015, TC-134800, (1s,3s)-cyclobutane-1,3-dicarboxylic acid, 4CH-016567, CS-0054338, FT-0753375, ST24024702, W7423, EN300-54842, EN300-71867, I04-1359, C6H8O4, CID137582, CB10340,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	144.126g/mol
Monoisotopic Mass	144.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^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

Lot Number