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18346-06-0 | 7H-Purine, 7-(phenylmethyl)-
CAS No: 18346-06-0 Catalog No: AG0027LQ MDL No:MFCD16659160
Product Description
Catalog Number:
AG0027LQ
Chemical Name:
7H-Purine, 7-(phenylmethyl)-
CAS Number:
18346-06-0
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
MDL Number:
MFCD16659160
IUPAC Name:
7-benzylpurine
InChI:
InChI=1S/C12H10N4/c1-2-4-10(5-3-1)7-16-9-15-12-11(16)6-13-8-14-12/h1-6,8-9H,7H2
InChI Key:
KKUVNLTZHSEFQY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cnc2c1cncn2
NSC Number:
35650
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.24g/mol
Monoisotopic Mass:
210.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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