AG003P3P

54450-84-9 | Cyclobutane-1,1-dicarboxylic acid ethyl ester

AG003P3P

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CAS Number	54450-84-9
Catalog Number	AG003P3P(AGN-PC-01U9CE)
Chemical Name	Cyclobutane-1,1-dicarboxylic acid ethyl ester
IUPAC Name	1-ethoxycarbonylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C8H12O4/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H,9,10)
InChI Key	XYHZRSFKDSWLHW-UHFFFAOYSA-N
MDL Number	MFCD10699115
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	C(=O)(OCC)C1(C(=O)O)CCC1
Synonyms	54450-84-9, 1-(ethoxycarbonyl)cyclobutanecarboxylic acid, Cyclobutane-1,1-dicarboxylic acid ethyl ester, 1-ethoxycarbonylcyclobutane-1-carboxylic Acid, 1-(ethoxycarbonyl)cyclobutane-1-carboxylic acid, 1,1-Cyclobutanedicarboxylic acid 1-ethyl ester, ACMC-20aldc, SCHEMBL1654017, KS-00001EWA, DTXSID40441670, XYHZRSFKDSWLHW-UHFFFAOYSA-N, CS-M2528, BBL100870, MFCD10699115, SBB088624, STL554664, ZINC19738647, AKOS005255356, Monoethyl 1,1-cyclobutanedicarboxylate, MCULE-1101077670, RP02711, TRA0101103, WT82093, 1-ethoxycarbonylcyclobutanecarboxylic acid, AJ-74812, AS-48478, DB-071856, TR-037048, 1,1-Cyclobutanedicarboxylicacid,1-ethylester, Ethyl Hydrogen Cyclobutane-1,1-dicarboxylate, FT-0678611, Y9420, Y-8635, 1,1-Cyclobutanedicarboxylic acid, 1-ethyl ester, I04-4050, J-503549, 1-Ethoxycarbonyl cyclobutane-1-carboxylic acid, 95%, Z1507564185, C8H12O4, ACN-032451, CID10559105, 1-(Ethoxycarbonyl)cyclobutanecarboxylicacid,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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