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113404-51-6 | 6-Heptenoic acid, 2-ethylidene-, (2E)-
CAS No: 113404-51-6 Catalog No: AG0008G7 MDL No:
Product Description
Catalog Number:
AG0008G7
Chemical Name:
6-Heptenoic acid, 2-ethylidene-, (2E)-
CAS Number:
113404-51-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
2-ethylidenehept-6-enoic acid
InChI:
InChI=1S/C9H14O2/c1-3-5-6-7-8(4-2)9(10)11/h3-4H,1,5-7H2,2H3,(H,10,11)
InChI Key:
NMJHKUHEVRVPQT-UHFFFAOYSA-N
SMILES:
C=CCCC/C(=C\C)/C(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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