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82898-13-3 | 2,5-DIMETHYL-HEX-4-ENOIC ACID
CAS No: 82898-13-3 Catalog No: AG004YZW MDL No:
Product Description
Catalog Number:
AG004YZW
Chemical Name:
2,5-DIMETHYL-HEX-4-ENOIC ACID
CAS Number:
82898-13-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
2,5-dimethylhex-4-enoic acid
InChI:
InChI=1S/C8H14O2/c1-6(2)4-5-7(3)8(9)10/h4,7H,5H2,1-3H3,(H,9,10)
InChI Key:
RHOVEHOUFDXMJJ-UHFFFAOYSA-N
SMILES:
CC(=CCC(C(=O)O)C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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