Home Carboxys 1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-

1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-

CAS No.:
7694-45-3
Catalog Number:
AG005RRY
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
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Product Description
Catalog Number:
AG005RRY
Chemical Name:
1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-
CAS Number:
7694-45-3
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD02114258
IUPAC Name:
4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
InChI Key:
CDSMSBUVCWHORP-UHFFFAOYSA-N
SMILES:
CC(=C)C1CCC(=CC1)C(=O)O
EC Number:
231-709-5
UNII:
PKS69DU4ZQ
NSC Number:
641067
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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