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1470-50-4 | 2-Octenoic acid
CAS No: 1470-50-4 Catalog No: AG001EI9 MDL No:MFCD00002706
Product Description
Catalog Number:
AG001EI9
Chemical Name:
2-Octenoic acid
CAS Number:
1470-50-4
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00002706
IUPAC Name:
(E)-oct-2-enoic acid
InChI:
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
InChI Key:
CWMPPVPFLSZGCY-VOTSOKGWSA-N
SMILES:
CCCCCC=CC(=O)O
UNII:
C0057TJ59E
FEMA Number:
3957
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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