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85687-68-9 | 2H-Pyrrole, 3,4-dihydro-5-(3-methoxypropyl)-4-(1-methylethylidene)-
CAS No: 85687-68-9 Catalog No: AG004PR7 MDL No:
Product Description
Catalog Number:
AG004PR7
Chemical Name:
2H-Pyrrole, 3,4-dihydro-5-(3-methoxypropyl)-4-(1-methylethylidene)-
CAS Number:
85687-68-9
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
5-(3-methoxypropyl)-4-propan-2-ylidene-2,3-dihydropyrrole
InChI:
InChI=1S/C11H19NO/c1-9(2)10-6-7-12-11(10)5-4-8-13-3/h4-8H2,1-3H3
InChI Key:
XAYBLLKQWRTPPA-UHFFFAOYSA-N
SMILES:
COCCCC1=NCCC1=C(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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