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162190-88-7 | Cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-, hydrochloride, (E)- (9CI)
CAS No: 162190-88-7 Catalog No: AG001SUZ MDL No:
Product Description
Catalog Number:
AG001SUZ
Chemical Name:
Cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-, hydrochloride, (E)- (9CI)
CAS Number:
162190-88-7
Molecular Formula:
C17H30ClNO
Molecular Weight:
299.8792
IUPAC Name:
(2E)-2-heptylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
InChI:
InChI=1S/C17H29NO.ClH/c1-2-3-4-5-6-9-15-10-11-16(17(15)19)14-18-12-7-8-13-18;/h9,16H,2-8,10-14H2,1H3;1H/b15-9+;
InChI Key:
INFJGXMCBQDLQE-NSPIFIKESA-N
SMILES:
CCCCCC/C=C/1\CCC(C1=O)CN1CCCC1.Cl
NSC Number:
639979
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
299.202g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.883g/mol
Monoisotopic Mass:
299.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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