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114046-05-8 | 2-Cyclohexene-1-carboxylic acid, 4-propyl-, trans- (9CI)
CAS No: 114046-05-8 Catalog No: AG000ADS MDL No:
Product Description
Catalog Number:
AG000ADS
Chemical Name:
2-Cyclohexene-1-carboxylic acid, 4-propyl-, trans- (9CI)
CAS Number:
114046-05-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
4-propylcyclohex-2-ene-1-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,11,12)
InChI Key:
MUWNKCCHAPTJCU-UHFFFAOYSA-N
SMILES:
CCC[C@H]1CC[C@@H](C=C1)C(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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