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81888-03-1

81888-03-1 | 2-Cyclopentene-1-carboxylicacid, 4,4-dimethyl-

CAS No: 81888-03-1 Catalog No: AG005675 MDL No:

Product Description

Catalog Number:
AG005675
Chemical Name:
2-Cyclopentene-1-carboxylicacid, 4,4-dimethyl-
CAS Number:
81888-03-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
4,4-dimethylcyclopent-2-ene-1-carboxylic acid
InChI:
InChI=1S/C8H12O2/c1-8(2)4-3-6(5-8)7(9)10/h3-4,6H,5H2,1-2H3,(H,9,10)
InChI Key:
AISQKPQRMIMXJT-UHFFFAOYSA-N
SMILES:
OC(=O)C1C=CC(C1)(C)C

Properties

Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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