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101030-74-4 | Cyclobutaneacetic acid, α-hydroxy-α-1-propyn-1-yl-, 1-methyl-4-piperidinyl ester
CAS No: 101030-74-4 Catalog No: AG0003LC MDL No:
Product Description
Catalog Number:
AG0003LC
Chemical Name:
Cyclobutaneacetic acid, α-hydroxy-α-1-propyn-1-yl-, 1-methyl-4-piperidinyl ester
CAS Number:
101030-74-4
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
(1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxypent-3-ynoate
InChI:
InChI=1S/C15H23NO3/c1-3-9-15(18,12-5-4-6-12)14(17)19-13-7-10-16(2)11-8-13/h12-13,18H,4-8,10-11H2,1-2H3
InChI Key:
PZDXBHWCDGXMDK-UHFFFAOYSA-N
SMILES:
CC#CC(C(=O)OC1CCN(CC1)C)(C1CCC1)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.353g/mol
Monoisotopic Mass:
265.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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