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trans-4-Isopropylcyclohexanecarboxylic Acid

CAT: 0572-TRC-I824400-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I824400-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7077-05-6
Synonyms
trans-4-(1-Methylethyl)cyclohexanecarboxylic Acid; Nateglinide Imp. A (EP); Nateglinide USP Related Compound A; Nateglinide USP RC A; trans-4-(1-Methylethyl)cyclohexanecarboxylic Acid; Cyclohexanecarboxylic acid, 4-isopropyl-, trans- (8CI); trans-4-Isopropylcyclohexanecarboxylic acid; trans-p-Menthan-7-oic acid; Nateglinide Related Compound A; Nateglinide Impurity A
Hazard Statement
Causes skin irritation
Smiles
CC(C)[C@@H]1CC[C@H](CC1)C(=O)O
Molecular Formula
C10 H18 O2
Molecular Weight
170.25
InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9-
Additionnal Information
IUPAC name: 4-propan-2-ylcyclohexane-1-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Isopropylcyclohexanecarboxylic Acid
CAS Number7077-05-6
PubChem CID81526
IUPAC Name4-propan-2-ylcyclohexane-1-carboxylic acid
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity155
SMILES
CC(C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKey
YRQKWRUZZCBSIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropylcyclohexanecarboxylic Acid
CAS: 7077-05-6
CID: 81526
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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