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101932-10-9 | Cyclopentaneacetic acid, α-hydroxy-α-1-propyn-1-yl-, 1-(2-propen-1-yl)-4-piperidinyl ester
CAS No: 101932-10-9 Catalog No: AG0005ZS MDL No:
Product Description
Catalog Number:
AG0005ZS
Chemical Name:
Cyclopentaneacetic acid, α-hydroxy-α-1-propyn-1-yl-, 1-(2-propen-1-yl)-4-piperidinyl ester
CAS Number:
101932-10-9
Molecular Formula:
C18H27NO3
Molecular Weight:
305.4119
IUPAC Name:
(1-prop-2-enylpiperidin-4-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
InChI:
InChI=1S/C18H27NO3/c1-3-11-18(21,15-7-5-6-8-15)17(20)22-16-9-13-19(12-4-2)14-10-16/h4,15-16,21H,2,5-10,12-14H2,1H3
InChI Key:
KFAKSXHFDZBAHZ-UHFFFAOYSA-N
SMILES:
C=CCN1CCC(CC1)OC(=O)C(C1CCCC1)(C#CC)O
NSC Number:
665777
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.418g/mol
Monoisotopic Mass:
305.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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