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1173022-44-0 | 3,4-Dimethoxy[7-13C]-benzaldehyde
CAS No: 1173022-44-0 Catalog No: AG000E3J MDL No:
Product Description
Catalog Number:
AG000E3J
Chemical Name:
3,4-Dimethoxy[7-13C]-benzaldehyde
CAS Number:
1173022-44-0
Molecular Formula:
C9H10O3
Molecular Weight:
167.1666
IUPAC Name:
3,4-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3/i6+1
InChI Key:
WJUFSDZVCOTFON-PTQBSOBMSA-N
SMILES:
COc1cc([13CH]=O)ccc1OC
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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