AG00AXP8

169899-49-4 | Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester (9CI)

AG00AXP8

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CAS Number	169899-49-4
Catalog Number	AG00AXP8(AGN-PC-0WBSKS)
Chemical Name	Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester (9CI)
IUPAC Name	methyl 3-hydroxy-1-methylcyclobutane-1-carboxylate
InChI	InChI=1S/C7H12O3/c1-7(6(9)10-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChI Key	KFLCCZPFOPDGLN-UHFFFAOYSA-N
MDL Number	MFCD23105985
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	O=C(C1(C)CC(O)C1)OC
Synonyms	626238-08-2, 1408075-48-8, 169899-49-4, cis-Methyl 3-hydroxy-1-methyl-cyclobutanecarboxylate, trans-Methyl 3-hydroxy-1-methyl-cyclobutanecarboxylate, Methyl 3-hydroxy-1-methyl-cyclobutanecarboxylate, trans-Methyl 3-hydroxy-1-methylcyclobutanecarboxylate, cis-Methyl 3-hydroxy-1-methylcyclobutanecarboxylate, methyl 3-hydroxy-1-methylcyclobutane-1-carboxylate, methyl 3-hydroxy-1-methylcyclobutanecarboxylate, Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester, cis- (9CI), SCHEMBL19348571, Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester (9CI), MFCD23105985, MFCD23105987, MFCD23105988, ZINC39087475, AKOS025290303, AKOS025396156, AKOS025404658, ZINC103536809, ZINC103537526, FCH2311217, PB35553, PB36095, PB38887, SB20666, SB20668, SB20669, KS-000007H2, KS-000007H4, KS-000007H5, AK172509, AS-51784, AS-51785, AS-51786, CS-0047739, CS-0049091, CS-0049656, Q-1967, Q-3288, Q-3830, methyl (1r,3s)-3-hydroxy-1-methylcyclobutane-1-, methyl (1s,3r)-3-hydroxy-1-methylcyclobutane-1-, Methyl cis-3-hydroxy-1-methylcyclobutane-1-carboxylate, Methyl trans-3-hydroxy-1-methylcyclobutane-1-carboxylate, Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester, trans-, Carboxylate,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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