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149376-67-0 | 9H-Purine-9-acetic acid, 6-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 149376-67-0 Catalog No: AG001LMM MDL No:
Product Description
Catalog Number:
AG001LMM
Chemical Name:
9H-Purine-9-acetic acid, 6-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
149376-67-0
Molecular Formula:
C15H13N5O4
Molecular Weight:
327.2948
IUPAC Name:
2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid
InChI:
InChI=1S/C15H13N5O4/c21-11(22)6-20-9-18-12-13(16-8-17-14(12)20)19-15(23)24-7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,22)(H,16,17,19,23)
InChI Key:
ZBOVBYTWJJUTEO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncnc2c1ncn2CC(=O)O)OCc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.3g/mol
Monoisotopic Mass:
327.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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