AG00IKQP

142733-61-7 | 1,3-Cyclobutanedicarboxylic acid, monomethyl ester, cis-

AG00IKQP

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CAS Number	142733-61-7
Catalog Number	AG00IKQP(AGN-PC-0O2I2P)
Chemical Name	1,3-Cyclobutanedicarboxylic acid, monomethyl ester, cis-
IUPAC Name	3-methoxycarbonylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C7H10O4/c1-11-7(10)5-2-4(3-5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChI Key	AJAHGOJIRQOMLK-UHFFFAOYSA-N
MDL Number	MFCD11099893
Molecular Formula	C7H10O4
Molecular Weight	158.1519
SMILES	O=C([C@H]1C[C@@H](C(OC)=O)C1)O
Synonyms	116569-00-7, 3-(methoxycarbonyl)cyclobutanecarboxylic acid, cis-3-(methoxycarbonyl)cyclobutanecarboxylic acid, 1401103-71-6, 3-(methoxycarbonyl)cyclobutane-1-carboxylic acid, 142733-61-7, trans-3-(Methoxycarbonyl)cyclobutanecarboxylic acid, trans-3-(methoxycarbonyl)cyclobutane-1-carboxylic acid, trans-3-(methoxycarbonyl)cyclobutane-1-carboxylicacid, 1,3-Cyclobutanedicarboxylic acid, 1-methyl ester, trans-, trans-1,3-Cyclobutanedicarboxylic acid mono methyl ester, 3-methoxycarbonylcyclobutane-1-carboxylic acid, AC1Q41H3, SCHEMBL7472907, SCHEMBL7472913, SCHEMBL17710064, AMCB00003, AMCB00014, CTK4A9859, DTXSID70653860, AJAHGOJIRQOMLK-URHBZAFASA-N, MFCD11099893, MFCD20659997, MFCD22394024, ZINC32628936, AKOS010378850, AKOS015851455, AKOS027251811, ZINC100643764, ZINC230400628, AM85493, AM85570, NE58447, SB15499, KS-000005X6, AS-32908, AS-50771, AS-51631, TR-034158, CS-0047810, CS-0049729, CS-0051677, EN300-88462, 1,3-Cyclobutanedicarboxylic acid,1-methyl ester, 1,3-Cyclobutanedicarboxylic acid, monomethyl ester, cis-, Cyclobutane-1beta,3beta-dicarboxylic acid 1-methyl ester, (1s,3s)-3-(methoxycarbonyl)cyclobutane-1-carboxylic acid, 1,3-Cyclobutanedicarboxylic acid, 1-methyl ester,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.153g/mol
Monoisotopic Mass	158.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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