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116444-42-9 | 2-Hexenoic acid, 6-hydroxy-2-methoxy-, methyl ester, (E)- (9CI)
CAS No: 116444-42-9 Catalog No: AG000CIR MDL No:
Product Description
Catalog Number:
AG000CIR
Chemical Name:
2-Hexenoic acid, 6-hydroxy-2-methoxy-, methyl ester, (E)- (9CI)
CAS Number:
116444-42-9
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
methyl 6-hydroxy-2-methoxyhex-2-enoate
InChI:
InChI=1S/C8H14O4/c1-11-7(8(10)12-2)5-3-4-6-9/h5,9H,3-4,6H2,1-2H3
InChI Key:
RTVKJIQJMZCYQO-UHFFFAOYSA-N
SMILES:
CO/C(=C/CCCO)/C(=O)OC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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