AG003V15

505-52-2 | Tridecanedioic acid

AG003V15

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CAS Number	505-52-2
Catalog Number	AG003V15(AGN-PC-0JK9KB)
Chemical Name	Tridecanedioic acid
EC Number	208-011-4
IUPAC Name	tridecanedioic acid
InChI	InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChI Key	DXNCZXXFRKPEPY-UHFFFAOYSA-N
MDL Number	MFCD00002740
Molecular Formula	C13H24O4
Molecular Weight	244.3273
NSC Number	9498
SMILES	OC(=O)CCCCCCCCCCCC(O)=O
UNII	PL3IQ40C34
Synonyms	1,11-undecanedicarboxylic acid, brassylic acid, tridecanedioic acid, tridecanedioic acid, disodium salt, tridecanedioic acid, monosodium salt, TRIDECANEDIOIC ACID, 505-52-2, Brassylic acid, 1,11-Undecanedicarboxylic acid, Brassilic acid, 1,13-Tridecanedioic acid, Brassylate, UNII-PL3IQ40C34, PL3IQ40C34, CHEBI:73718, Undecane-1,11-dicarboxylic acid, NSC9498, DXNCZXXFRKPEPY-UHFFFAOYSA-N, tridecanedioate, MFCD00002740, AK-96040, DSSTox_CID_1683, DSSTox_RID_76281, DSSTox_GSID_21683, CAS-505-52-2, Brassilate, 1,11-Undecanedicarboxylicacid, NSC 9498, EINECS 208-011-4, 1,13-Tridecanedioate, PubChem18098, 1,13-Brassylic Acid, AI3-18168, EC 208-011-4, 1,11-Undecanedicarboxylate, AC1L1V8P, ACMC-1AM87, SCHEMBL20802, Undecane-1,11-dicarboxylate, KSC271Q8L, CHEMBL3187746, DTXSID9021683, CTK1H1885, 1, 11-Undecanedicarboxylic acid, KS-000010KD, NSC-9498, ZINC1700020, Tox21_201301, Tox21_302982, ANW-31046, LMFA01170014, RW2349, STK033041, AKOS005381208, 1,11-Undecanedicarboxylic acid, 94%, API0006280, MCULE-8192564811, NCGC00249020-01, NCGC00249020-02, NCGC00256463-01, NCGC00258853-01, AJ-30443, AN-21450, AS-14882, CC-35305, M986, AX8021066, RT-000601, FT-0606050, ST24031951, K-9357, AB01332661-02, 505T522, C-33590, I04-1207, C13H24O4, CID10458, C13-H24-O4, Tridecanedioic acid, 98% - 25G 25g, 1,11-Undecanedicarboxylic acid, 94% 1g, A7494, T0021,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.167g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.331g/mol
Monoisotopic Mass	244.167g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number