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125014-57-5 | Morpholine, 4-[3-(1-naphthalenyl)-2-propyn-1-yl]-
CAS No: 125014-57-5 Catalog No: AG000MZN MDL No:
Product Description
Catalog Number:
AG000MZN
Chemical Name:
Morpholine, 4-[3-(1-naphthalenyl)-2-propyn-1-yl]-
CAS Number:
125014-57-5
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
4-(3-naphthalen-1-ylprop-2-ynyl)morpholine
InChI:
InChI=1S/C17H17NO/c1-2-9-17-15(5-1)6-3-7-16(17)8-4-10-18-11-13-19-14-12-18/h1-3,5-7,9H,10-14H2
InChI Key:
GZEOEZTVKXEBQT-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)CC#Cc1cccc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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