AG003P4H

1127-08-8 | Cyclohexane-1,1-dicarboxylic acid

AG003P4H

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CAS Number	1127-08-8
Catalog Number	AG003P4H(AGN-PC-0JMP5O)
Chemical Name	Cyclohexane-1,1-dicarboxylic acid
IUPAC Name	cyclohexane-1,1-dicarboxylic acid
InChI	InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)
InChI Key	QYQADNCHXSEGJT-UHFFFAOYSA-N
MDL Number	MFCD00094668
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(C1(C(O)=O)CCCCC1)O
Synonyms	Cyclohexane-1,1-dicarboxylic acid, 1127-08-8, Cyclohexanedicarboxylic acid, 1,1-cyclohexanedicarboxylic acid, MFCD00094668, ACMC-20ald2, AC1L39JH, cyclohexane dicarboxylic acid, SCHEMBL25741, 1,1-Cyclohexanedicarboxylicacid, AC1Q720B, CTK0I2543, DTXSID40150139, QYQADNCHXSEGJT-UHFFFAOYSA-N, ZINC4799334, 8963AC, BBL100695, SBB053444, STL554489, AKOS005254791, FCH1121445, MCULE-4011811531, 1,1-Cyclohexanedicarboxylic acid, 95%, CYCLOHEXANE-1,1-DICARBOXYLICACID, CC-26055, Cyclohexane-1,1-dicarboxylic acid, 97%, DB-041114, TR-002467, FT-0633375, C-5657, C-27303, I04-4368, C8H12O4, CID136906, ACN-028539,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

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