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Home > Aldehydes > 433920-94-6
433920-94-6 | 4-(4-Methoxypyrimidin-2-yl);benzaldehyde
CAS No: 433920-94-6 Catalog No: AG00744S MDL No:MFCD08669925
Product Description
Catalog Number:
AG00744S
Chemical Name:
4-(4-Methoxypyrimidin-2-yl);benzaldehyde
CAS Number:
433920-94-6
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD08669925
IUPAC Name:
4-(4-methoxypyrimidin-2-yl)benzaldehyde
InChI:
InChI=1S/C12H10N2O2/c1-16-11-6-7-13-12(14-11)10-4-2-9(8-15)3-5-10/h2-8H,1H3
InChI Key:
TYWXCVUSLLOSAN-UHFFFAOYSA-N
SMILES:
COc1ccnc(n1)c1ccc(cc1)C=O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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