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1082806-61-8 | 3-(Benzo[d][1,3]dioxol-5-yl)pyrrolidine
CAS No: 1082806-61-8 Catalog No: AG01FLWY MDL No:MFCD11613467
Product Description
Catalog Number:
AG01FLWY
Chemical Name:
3-(Benzo[d][1,3]dioxol-5-yl)pyrrolidine
CAS Number:
1082806-61-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD11613467
IUPAC Name:
3-(1,3-benzodioxol-5-yl)pyrrolidine
InChI:
InChI=1S/C11H13NO2/c1-2-10-11(14-7-13-10)5-8(1)9-3-4-12-6-9/h1-2,5,9,12H,3-4,6-7H2
InChI Key:
HZVSXGNTMOKANQ-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1ccc2c(c1)OCO2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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