AG003D7Z

4355-11-7 | 1,1-CyclohexanediaceticAcid

AG003D7Z

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CAS Number	4355-11-7
Catalog Number	AG003D7Z(AGN-PC-0WAM5H)
Chemical Name	1,1-CyclohexanediaceticAcid
EC Number	224-427-9
IUPAC Name	2-[1-(carboxymethyl)cyclohexyl]acetic acid
InChI	InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
InChI Key	YQPCHPBGAALCRT-UHFFFAOYSA-N
MDL Number	MFCD00001519
Molecular Formula	C10H16O4
Molecular Weight	200.2316
SMILES	C(C1(CC(O)=O)CCCCC1)C(O)=O
Synonyms	1,1-Cyclohexanediacetic acid, 4355-11-7, 1,1-Cyclohexanediaceticacid, Cyclohexanediacetic acid, 2-[1-(carboxymethyl)cyclohexyl]acetic acid, 1,1-Cyclohexane diacetic acid, 2,2'-(Cyclohexane-1,1-diyl)diacetic acid, MFCD00001519, YQPCHPBGAALCRT-UHFFFAOYSA-N, [1-(carboxymethyl)cyclohexyl]acetic acid, 2,2'-cyclohexane-1,1-diyldiacetic acid, 2-[(carboxymethyl)cyclohexyl]acetic acid, Gabapentin Impurity 2, PubChem13645, PubChem20711, AC1L2UEI, Oprea1_388207, SCHEMBL98282, 1,1 cyclohexanediacetic acid, KSC111E7B, 1,1-cyclohexane-diacetic acid, ACMC-2097f5, 3,3-Pentamethyleneglutaric acid, Jsp000023, CTK0B1270, KS-00000CBB, YQPCHPBGAALCRT-UHFFFAOYSA-, ZINC157284, NSC39839, EINECS 224-427-9, 1,1-Cyclohexanediacetic acid, 98%, ANW-13887, BBL019251, CC0045, NSC-39839, NSC169443, SBB058444, STL182758, AKOS000119375, AC-1926, LS41208, MCULE-6066809185, NSC-169443, RTR-016864, TRA0072603, 9355-11-7, AJ-14974, AK-45212, AN-14463, AS-10916, BC202957, BR-45212, SY002151, DB-018690, ST2408399, TR-016864, AM20070546, FT-0606079, ST50825447, MFCD00001519 (98%), 55C117, EC 224-427-9, M-2250, AB00983286-01, AN-829/41297703, I04-0439, L-2-Amino-3-[3-(5-hydroxyindole)]propionic acid, W-106222, Z219997496, 152848-09-4, InChI=1/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14), C10H16O4, CID78061, MFCD00064341, ACN-028529, C1444,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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