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24642-46-4 | Acetic acid, diphenyl-, 1-methyl-4-(1-pyrrolidinyl)-2-butynyl ester hydrochloride (8CI)
CAS No: 24642-46-4 Catalog No: AG002OW8 MDL No:
Product Description
Catalog Number:
AG002OW8
Chemical Name:
Acetic acid, diphenyl-, 1-methyl-4-(1-pyrrolidinyl)-2-butynyl ester hydrochloride (8CI)
CAS Number:
24642-46-4
Molecular Formula:
C23H26ClNO2
Molecular Weight:
383.9110
IUPAC Name:
5-pyrrolidin-1-ylpent-3-yn-2-yl 2,2-diphenylacetate;hydrochloride
InChI:
InChI=1S/C23H25NO2.ClH/c1-19(11-10-18-24-16-8-9-17-24)26-23(25)22(20-12-4-2-5-13-20)21-14-6-3-7-15-21;/h2-7,12-15,19,22H,8-9,16-18H2,1H3;1H
InChI Key:
FCKIVXBJJQPVSM-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(c1ccccc1)c1ccccc1)C#CCN1CCCC1.Cl
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.165g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.916g/mol
Monoisotopic Mass:
383.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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