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114274-33-8 | Pentanoic acid, 5-(dihydro-2(3H)-furanylidene)-, (E)- (9CI)
CAS No: 114274-33-8 Catalog No: AG000AXS MDL No:
Product Description
Catalog Number:
AG000AXS
Chemical Name:
Pentanoic acid, 5-(dihydro-2(3H)-furanylidene)-, (E)- (9CI)
CAS Number:
114274-33-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
5-(oxolan-2-ylidene)pentanoic acid
InChI:
InChI=1S/C9H14O3/c10-9(11)6-2-1-4-8-5-3-7-12-8/h4H,1-3,5-7H2,(H,10,11)
InChI Key:
JQNKVIWHOUGZOS-UHFFFAOYSA-N
SMILES:
OC(=O)CCC/C=C/1\CCCO1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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