Trans-1,4-Cyclohexanedicarboxybic acid

CAT: 0926-FC40158-01Size: 100 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FC40158-01Size:100 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

619-82-9

MDL Number

MFCD00066203

Smiles

C1CC (CCC1C (=O) O) C (=O) O

Molecular Formula

C8H12O4

Molecular Weight

172.18 g/mol

Controlled

Chemical Information

1,4-Cyclohexanedicarboxylic acid

1,4-cyclohexanedicarboxylic acid is a dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4.

CAS Number	619-82-9
PubChem CID	14106
IUPAC Name	cyclohexane-1,4-dicarboxylic acid
Molecular Formula	C8H12O4
Molecular Weight	172.18
XLogP	0.5
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

C1CC(CCC1C(=O)O)C(=O)O

InChI

InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 619-82-9

CID: 14106

Formula: C8H12O4

MW: 172.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.18
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	172.07355886
Monoisotopic Mass	172.07355886
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
II72042-01	Trans-trans-4,4'-Iminodimethylenedi (cyclohexanecarboxylic acid)
FH61885-01	Trans-4-Hydroxycyclohexanecarboxylic acid
FC11235-01	Trans-4-Coumaric acid
FN30623-01	Trans-4-Nitrocinnamic acid
YCA87361-01	Trans-4-Methoxycyclohexanecarboxylic Acid
ZGA77155-01	Trans-4- (trifluoromethoxy) cyclohexane-1-carboxylic acid
FD22343-01	Trans 4-Dimethylaminocrotonic acid HCl
IA71533-01	Trans-4- (Aminomethyl) cyclohexanecarboxylic acid
FM26099-01	Trans, trans-Muconic acid
FC61021-01	(+) -trans-1,2-Cyclohexanedicarboxylic Anhydride

Catalog	Name
HY-W016897	Trans-1,4-Cyclohexanedicarboxylic acid
HY-N3835	Trans-1,4-Dihydroxycyclohexaneacetic acid
OR1008833-01	(Trans, Trans) -4-Propyl-[1,1-Bicyclohexyl]-4-Carboxylic Acid
OR1028787-01	(Trans, Trans) -[1,1'-Bi (Cyclohexane) ]-4,4'-Dicarboxylic Acid
OR1008832-01	(Trans, Trans) -4-Pentyl-[1,1-Bicyclohexyl]-4-Carboxylic Acid
JH919930	Trans-trans-4,4'-iminodimethylenedi (cyclohexanecarboxylic acid)
OR1015277-01	Trans-4- (Trans-4-Butylcyclohexyl) Cyclohexanecarboxylic Acid
OR1008829-01	(Trans, Trans) -4’-Propyl[1,1’-Bicyclohexyl]-4-Carboxyllic Acid-4- (Trans-4-Propylcyclohexyl) Phenyl Ester
sc-470769	Fmoc-trans-1,4-aminocyclohexaneacetic acid
GTR19276800-01	Trans-4-Cyanocyclohexane-1-carboxylic acid