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Home > Aldehydes > 220114-83-0
220114-83-0 | 2-Pyrimidinecarboxaldehyde, 5-methoxy- (9CI)
CAS No: 220114-83-0 Catalog No: AG00BG3I MDL No:MFCD10697491
Product Description
Catalog Number:
AG00BG3I
Chemical Name:
2-Pyrimidinecarboxaldehyde, 5-methoxy- (9CI)
CAS Number:
220114-83-0
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD10697491
IUPAC Name:
5-methoxypyrimidine-2-carbaldehyde
InChI:
InChI=1S/C6H6N2O2/c1-10-5-2-7-6(4-9)8-3-5/h2-4H,1H3
InChI Key:
YWCAULDHVOEECI-UHFFFAOYSA-N
SMILES:
COc1cnc(nc1)C=O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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