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131-64-6 | 3-Cyclohexene-1-carboxylic acid, 6-[(diethylamino)carbonyl]-
CAS No: 131-64-6 Catalog No: AG000VBB MDL No:
Product Description
Catalog Number:
AG000VBB
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-[(diethylamino)carbonyl]-
CAS Number:
131-64-6
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C12H19NO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,16)
InChI Key:
FVZDUKGVISGJCQ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C1CC=CCC1C(=O)O)CC
NSC Number:
6279
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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