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101952-37-8 | Cyclopentaneacetic acid, α-1-butyn-1-yl-α-hydroxy-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 101952-37-8 Catalog No: AG00061W MDL No:
Product Description
Catalog Number:
AG00061W
Chemical Name:
Cyclopentaneacetic acid, α-1-butyn-1-yl-α-hydroxy-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
101952-37-8
Molecular Formula:
C18H27NO3
Molecular Weight:
305.4119
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyhex-3-ynoate
InChI:
InChI=1S/C18H27NO3/c1-2-3-10-18(21,15-6-4-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h14-16,21H,2,4-9,11-13H2,1H3
InChI Key:
CMEALEXDKQTIIP-UHFFFAOYSA-N
SMILES:
CCC#CC(C(=O)OC1CN2CCC1CC2)(C1CCCC1)O
NSC Number:
665743
Properties
Complexity:
477
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:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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