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144098-74-8 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(2,6-dimethyl-5-hepten-1-yl)-
CAS No: 144098-74-8 Catalog No: AG001IWZ MDL No:
Product Description
Catalog Number:
AG001IWZ
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(2,6-dimethyl-5-hepten-1-yl)-
CAS Number:
144098-74-8
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
3-(2,6-dimethylhept-5-enyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C17H26O2/c1-11(2)5-4-6-12(3)9-15-13-7-8-14(10-13)16(15)17(18)19/h5,7-8,12-16H,4,6,9-10H2,1-3H3,(H,18,19)
InChI Key:
NVADGADSYDVZDM-UHFFFAOYSA-N
SMILES:
CC(CC1C2C=CC(C1C(=O)O)C2)CCC=C(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.393g/mol
Monoisotopic Mass:
262.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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