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114519-98-1 | Heptanoic acid, 2,2-diethenyl-
CAS No: 114519-98-1 Catalog No: AG000EM9 MDL No:
Product Description
Catalog Number:
AG000EM9
Chemical Name:
Heptanoic acid, 2,2-diethenyl-
CAS Number:
114519-98-1
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
2,2-bis(ethenyl)heptanoic acid
InChI:
InChI=1S/C11H18O2/c1-4-7-8-9-11(5-2,6-3)10(12)13/h5-6H,2-4,7-9H2,1H3,(H,12,13)
InChI Key:
HMRWCJNINPOQDG-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)O)(C=C)C=C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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