Cis-Pinic acid

CAT: 0024-sc-476232Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-476232Size:50 mg

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CAS Number

61774-58-1

Chemical Information

Cis-Pinic Acid

CAS Number	61774-58-1
PubChem CID	10679112
IUPAC Name	cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
Molecular Formula	C9H14O4
Molecular Weight	186.20
XLogP	0.8
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	244

SMILES

CC1([C@H](C[C@H]1C(=O)O)CC(=O)O)C

InChI

InChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1

InChIKey

LEVONNIFUFSRKZ-RITPCOANSA-N

Chemical Structure

2D Structure

CAS: 61774-58-1

CID: 10679112

Formula: C9H14O4

MW: 186.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.20
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	186.08920892
Monoisotopic Mass	186.08920892
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
sc-477289A	Pinic Acid
sc-477289	Pinic Acid
sc-223893	Cis, cis-Muconic acid
sc-234397	Cis, cis, cis, cis-1,2,3,4-Cyclopentanetetracarboxylic acid
sc-257251	Cis-Aconitic acid
sc-214741A	Cis-Urocanic acid
sc-396097	Cis-Tranexamic Acid
sc-227677	Cis-Pinonic acid
sc-487250	Cis-Epoxysuccinic Acid
sc-214742	Cis-Vaccenic acid

Catalog	Name
TRC-P468205-500MG	Cis-Pinic Acid
OR1036736	Rel-cis-Pinic acid
TRC-P468200-500MG	Pinic Acid (Diastereomeric Mixture)
OR1012666-01	Cis Cis-Muconic Acid
C6988-500	cis,cis-Muconic acid
FM178485-01	Cis, cis-Muconic acid
HY-W000800R-01	Cis, cis-Muconic acid (Standard)
FCA66740-01	(+) -cis-Permethrinic acid
T36077-01	Cis-Parinaric Acid
T10824-01	Cis-Urocanic acid