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1218998-90-3 | Propanoic acid, 2-(5-hexen-1-yloxy)-, (2R)-
CAS No: 1218998-90-3 Catalog No: AG0016CQ MDL No:MFCD18311880
Product Description
Catalog Number:
AG0016CQ
Chemical Name:
Propanoic acid, 2-(5-hexen-1-yloxy)-, (2R)-
CAS Number:
1218998-90-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD18311880
IUPAC Name:
(2R)-2-hex-5-enoxypropanoic acid
InChI:
InChI=1S/C9H16O3/c1-3-4-5-6-7-12-8(2)9(10)11/h3,8H,1,4-7H2,2H3,(H,10,11)/t8-/m1/s1
InChI Key:
AJARURYEKUWTFJ-MRVPVSSYSA-N
SMILES:
C=CCCCCO[C@@H](C(=O)O)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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