AG00799O

3853-88-1 | cis-endo-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

AG00799O

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CAS Number	3853-88-1
Catalog Number	AG00799O(AGN-PC-0RGT5H)
Chemical Name	cis-endo-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
IUPAC Name	(1S,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
InChI	InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5-,6-,7-/m1/s1
InChI Key	NIDNOXCRFUCAKQ-DBRKOABJSA-N
MDL Number	MFCD00003735
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C([C@H]1[C@@](C2)([H])C=C[C@@]2([H])[C@H]1C(O)=O)O
Synonyms	3853-88-1, (1S,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, cis-5-Norbornene-endo-2,3-dicarboxylic acid, cis-endo-5-Norbornene-2,3-dicarboxylic acid, PubChem21628, SCHEMBL20346210, CTK4I0136, ANW-43626, AKOS006316123, AKOS015833091, ZINC100042249, RTR-015553, TR-015553, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, (1R,2S,3R,4S)-rel-, Carbic acid, Endic acid, Nadic acid, UNII-XO203WA3PO, endo-Methylenetetrahydrophthalic acid, 5-norbornene-endo-2,3-dicarboxylic acid, endo-Norbornene-cis-5,6-dicarboxylic acid, 2-Norbornene-5,6-endo-cis-dicarboxylic acid, endo-cis-5-Norbornene-2,3-dicarboxylic acid, T1984, 5-Norbornene-2,3-dicarboxylic acid, cis-endo-, 3,6-Endomethylene-delta4-tetrahydrophthalic acid, CIS-5-NORBORNENE-ENDO-2,3-DICARBOXYLICACID, cis-3,6-Endomethylene-1,2,3,6-tetrahydrophthalic acid, Bicyclo(2.2.1)hept-5-ene-endo-2,3-cis-dicarboxylic acid, Bicyclo(2.2.1)hept-5-ene-endo-cis-2,3-dicarboxylic acid, cis-endo-Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, endo-Bicyclo(2.2.1)heptene-5-ene-2,3-dicarboxylic acid, cis-5-Norbornene-endo-2,3-dicarboxylic acid, 98% - 1G 1g, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, (endo,endo)-, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (endo,endo)-, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number