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116315-80-1 | 2-Pentynoic acid, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (4S)- (9CI)
CAS No: 116315-80-1 Catalog No: AG000C6W MDL No:
Product Description
Catalog Number:
AG000C6W
Chemical Name:
2-Pentynoic acid, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (4S)- (9CI)
CAS Number:
116315-80-1
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
methyl 4-(oxan-2-yloxy)pent-2-ynoate
InChI:
InChI=1S/C11H16O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h9,11H,3-5,8H2,1-2H3
InChI Key:
MPUVFUVDEJMNFU-UHFFFAOYSA-N
SMILES:
COC(=O)C#C[C@@H](OC1CCCCO1)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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