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1864248-86-1 | 2-(2,5-dihydro-1H-pyrrol-1-yl)pyrimidine-5-carbaldehyde
CAS No: 1864248-86-1 Catalog No: AG01C8Q4 MDL No:MFCD30079752
Product Description
Catalog Number:
AG01C8Q4
Chemical Name:
2-(2,5-dihydro-1H-pyrrol-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
1864248-86-1
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD30079752
IUPAC Name:
2-(2,5-dihydropyrrol-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H9N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h1-2,5-7H,3-4H2
InChI Key:
HKGWVFMBEBBRKZ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CC=CC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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