AG002OGT

24539-28-4 | Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, 1-methyl ester

AG002OGT

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CAS Number	24539-28-4
Catalog Number	AG002OGT(AGN-PC-0R0D1A)
Chemical Name	Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, 1-methyl ester
IUPAC Name	4-methoxycarbonylcubane-1-carboxylic acid
InChI	InChI=1S/C11H10O4/c1-15-9(14)11-5-2-6(11)4-7(11)3(5)10(2,4)8(12)13/h2-7H,1H3,(H,12,13)
InChI Key	ARRJEFLYRAVFJA-UHFFFAOYSA-N
MDL Number	MFCD08458189
Molecular Formula	C11H10O4
Molecular Weight	206.1947
NSC Number	640885
SMILES	COC(=O)C12C3C4C2C2C1C3C42C(=O)O
Synonyms	24539-28-4, 4-Methoxycarbonylcubanecarboxylic acid, NSC640885, 8-(methoxycarbonyl)cubane-1-carboxylic acid, 4-methoxycarbonylcubane-1-carboxylic acid, 4-(METHOXYCARBONYL)CUBANE-1-CARBOXYLIC ACID, Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, 1-methyl ester, Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid, 1-methyl ester, AC1L7YI6, AC1Q5ZH7, SCHEMBL352326, 1-carboxy-4-carbomethoxycubane, CHEMBL2006065, SCHEMBL14160521, CTK4F3856, DTXSID50327274, ARRJEFLYRAVFJA-UHFFFAOYSA-N, BM541, ZXBA000421, KS-000005PV, ZINC1626431, MFCD08458189, AKOS015960190, NSC-640885, 4-(methoxycarbonyl)pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid, AS-43542, NCI60_013635, OR312489, 4-(Methoxycarbonyl)-1-cubanecarboxylic acid, CS-0049983, Cubane-1,4-Dicarboxylic acid 1-methyl ester, W5588, 4-Methoxycarbonylcubanecarboxylic acid, >=97%, 4-Methoxycarbonylcubanecarboxylic acid, AldrichCPR, (1s,2R,3r,8S)-4-(methoxycarbonyl)cubane-1-carboxylic acid, C11H10O4, AR-1F7077, CID369179, 4-Methoxycarbonylcubanecarboxylic acid, 97% - 1G 1g, 24646-20-6,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.197g/mol
Monoisotopic Mass	206.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H315-H335
Packing Group
Precautionary statements	P302+P352-P280-P305+P351+P338-P261
UN Code

Certificate of Analysis

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