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833-86-3 | propiophenone, 3-(1-pyrrolidinyl)-, hydrochloride
CAS No: 833-86-3 Catalog No: AG004VQ3 MDL No:
Product Description
Catalog Number:
AG004VQ3
Chemical Name:
propiophenone, 3-(1-pyrrolidinyl)-, hydrochloride
CAS Number:
833-86-3
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
1-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
InChI:
InChI=1S/C13H17NO.ClH/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14;/h1-3,6-7H,4-5,8-11H2;1H
InChI Key:
AACQWMDCFMYTSE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCN1CCCC1.Cl
EC Number:
212-633-1
UNII:
763U2A0O5F
NSC Number:
73484
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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