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85035-86-5 | 1-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CAS No: 85035-86-5 Catalog No: AG004PV6 MDL No:
Product Description
Catalog Number:
AG004PV6
Chemical Name:
1-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CAS Number:
85035-86-5
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ol
InChI:
InChI=1S/C16H17NO/c18-16(12-14-8-3-4-11-17-14)10-5-7-13-6-1-2-9-15(13)16/h1-4,6,8-9,11,18H,5,7,10,12H2
InChI Key:
SHIGBEQKJJOLFP-UHFFFAOYSA-N
SMILES:
OC1(CCCc2c1cccc2)Cc1ccccn1
NSC Number:
147932
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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