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69311-30-4

69311-30-4 | 2H-Pyrrole,3,4-dihydro-5-(phenylmethyl)-

CAS No: 69311-30-4 Catalog No: AG006GF2 MDL No:

Product Description

Catalog Number:
AG006GF2
Chemical Name:
2H-Pyrrole,3,4-dihydro-5-(phenylmethyl)-
CAS Number:
69311-30-4
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
5-benzyl-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C11H13N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6H,4,7-9H2
InChI Key:
RSOADCLKZJGKCE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1=NCCC1
NSC Number:
12225

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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