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28673-50-9 | 1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
CAS No: 28673-50-9 Catalog No: AG002W21 MDL No:
Product Description
Catalog Number:
AG002W21
Chemical Name:
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
CAS Number:
28673-50-9
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
2-(4-cyclohexylcyclohexen-1-yl)acetic acid
InChI:
InChI=1S/C14H22O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6,12-13H,1-5,7-10H2,(H,15,16)
InChI Key:
IOUHTAWCGAWYMR-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=CCC(CC1)C1CCCCC1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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