AG00DGG8

552849-33-9 | cis-3-Hydroxycyclobutanecarboxylic acid

AG00DGG8

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CAS Number	552849-33-9
Catalog Number	AG00DGG8(AGN-PC-0OC7M5)
Chemical Name	cis-3-Hydroxycyclobutanecarboxylic acid
IUPAC Name	3-hydroxycyclobutane-1-carboxylic acid
InChI	InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChI Key	ZSHGVMYLGGANKU-UHFFFAOYSA-N
MDL Number	MFCD12964956
Molecular Formula	C5H8O3
Molecular Weight	116.1152
SMILES	O=C([C@H]1C[C@@H](O)C1)O
Synonyms	3-Hydroxycyclobutanecarboxylic acid, cis-3-Hydroxycyclobutanecarboxylic acid, 194788-10-8, trans-3-Hydroxycyclobutanecarboxylic acid, 552849-33-9, 1268521-85-2, 3-hydroxycyclobutane-1-carboxylic acid, Cyclobutanecarboxylic acid, 3-hydroxy-, 3-Hydroxy-cyclobutanecarboxylic acid, Cyclobutanecarboxylic acid, 3-hydroxy-, trans-, Cyclobutanecarboxylic acid, 3-hydroxy-, cis-, (1r,3r)-3-hydroxycyclobutane-1-carboxylic acid, Cyclobutanecarboxylicacid,3-hydroxy-, Cyclobutanecarboxylicacid,3-hydroxy-,cis-, Cyclobutanecarboxylicacid,3-hydroxy-,trans-, MFCD08705859, SCHEMBL871716, SCHEMBL913504, SCHEMBL9081638, CHEMBL4080359, AMCB00020, CTK4B5384, CTK4E1610, CTK5A3343, ZSHGVMYLGGANKU-UHFFFAOYSA-N, WT920, ALBB-029104, BCP27486, KS-000007IH, 8061AB, ANW-48588, ANW-54071, CH-570, MFCD12964956, MFCD17676395, ZINC20446487, AKOS006291292, AKOS015995236, AKOS015995238, ZINC100009211, ZINC100077688, CS-W005391, CS-W019144, DS-6465, PB26416, PB34748, RP19221, RP19222, RP19223, SB20721, AC-25285, AJ-77754, AK-51692, AK-67699, AK129703, AM807032, AN-27853, AN-30213, AT-25716, BR-51692, DS-16694, SC-21914, SC-96294, TS-01602, cis-3-Hydroxycyclobutane-1-carboxylic acid, AB0023155, DB-032350, ST1110779, ST1110794, ST1110814, TC-137333, TC-142816, TL8007106, 4CH-004972, 4CH-005629, 4CH-009157, AM20070602, FT-0689597, M3131, M3196, trans-3-Hydroxycyclobutane-1-carboxylic acid, W4156, Q-1980, Q-4229, S-5632, (1s,3s)-3-hydroxycyclobutane-1-carboxylic acid, 788H108, 849H339, M111021, M111022, (1S,3S)-3-HYDROXYCYCLOBUTANECARBOXYLIC ACID, J-520137, J-520138, J-520139, I14-16170, 1268521-85-2 (1r,3r)-3-hydroxycyclobutane-1-carboxylic acid, C5H8O3, ACN-048827, A15348,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.047g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	116.116g/mol
Monoisotopic Mass	116.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number