AG003MXO

3813-52-3 | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

AG003MXO

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CAS Number	3813-52-3
Catalog Number	AG003MXO(AGN-PC-008TT6)
Chemical Name	Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
EC Number	223-301-0
IUPAC Name	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)
InChI Key	NIDNOXCRFUCAKQ-UHFFFAOYSA-N
MDL Number	MFCD00003735
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C(C1C(C2)C=CC2C1C(O)=O)O
Synonyms	Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 3813-52-3, 5-Norbornene-2,3-dicarboxylic acid, Nadic acid, Carbic acid, Endic acid, cis,endo-5-Norbornene-2,3-dicarboxylic acid, endo-Methylenetetrahydrophthalic acid, endo-Norbornene-cis-5,6-dicarboxylic acid, NIDNOXCRFUCAKQ-UHFFFAOYSA-N, 5-norbornene -2,3-dicarboxylic acid, 3853-88-1, 3,6-Endomethylene-.DELTA.4-tetrahydrophthalic acid, 5-Norbornene-2,3-dicarboxylic acid, cis-endo-, endo,exo-bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, (endo,endo)-, EINECS 223-301-0, cis-5-Norbornene-endo-2,3-dicarboxylic acid, cis-5-Norbornene-2,3-dicablxylic acid, AC1L3ZLE, AC1Q5TDY, Maybridge1_002359, AC1Q74AI, CHEMBL8162, NCIOpen2_000091, 8,9,10-Trinorborn-5-ene-2,3-dicarboxylic acid, SCHEMBL59471, KSC224C2H, DivK1c_001111, Jsp006691, CTK1C4123, HMS548D05, 5-norbomene-2,3-dicarboxylic acid, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-5-Norbornene-2,3-dicarboxylic acid, KS-000000FX, NSC62668, ANW-28818, BBL013540, MFCD00152680, norborn-5-en-2,3-dicarboxylic acid, NSC-62668, NSC120498, NSC123024, SBB008528, STK279216, AKOS000365644, AKOS016038450, AKOS025243673, Norborna-5-ene-2,3-dicarboxylic acid, AC-4843, FR-2219, MCULE-8919412541, NSC-120498, NSC-123024, RP03268, TRA0070338, TRA0082223, VZ30524, VZ35678, CDS1_000071, AK-87953, AN-11595, AN-48866, DS-18404, L837, SC-45219, SY015246, DB-003110, RT-002731, CS-0043137, FT-0620731, N1029, EN300-16714, A21510, Bicyclo[2.2.1]hept-5-ene-2, (endo,endo)-, AB00980257-01, MFCD00152680 (95+%), A804428, bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid, I14-2429, J-519849, Z56757117, (endo,endo)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 4-nitro-3-chloro-trifluoromethylbenzene;1-Chloro-2-nitro-5-(trifluoromethyl)benzene, UNII-51MWF38CQG, UNII-XO203WA3PO, 51MWF38CQG, 5-Norbornene-2, cis-endo-, 3-Chloro-4-nitrobenzotrifluoride, C9H10O4, 5-Norbornene-2-endo,3-exo-dicarboxylic acid, CID97965, AR-1I2361, C9-H10-O4, ACN-031839, 5-norbornene-endo-2,3-dicarboxylic acid, 1200-88-0, 2-Norbornene-5,6-endo-cis-dicarboxylic acid, endo-cis-5-Norbornene-2,3-dicarboxylic acid, 3,6-Endomethylene-delta4-tetrahydrophthalic acid, endo-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 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]-5-heptene-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, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (endo,endo)-, 402-11-9, 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	0
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	4
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