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1234615-76-9 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, methyl ester
CAS No: 1234615-76-9 Catalog No: AG000KLT MDL No:MFCD17016003
Product Description
Catalog Number:
AG000KLT
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, methyl ester
CAS Number:
1234615-76-9
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD17016003
IUPAC Name:
methyl 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H7N3O2/c1-13-8(12)6-3-10-7-5(6)2-9-4-11-7/h2-4H,1H3,(H,9,10,11)
InChI Key:
FEHWBWCQKKRFGX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cncn2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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