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5780-07-4 | MYRISTICIN ALDEHYDE
CAS No: 5780-07-4 Catalog No: AG003S6Z MDL No:MFCD00016900
Product Description
Catalog Number:
AG003S6Z
Chemical Name:
MYRISTICIN ALDEHYDE
CAS Number:
5780-07-4
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00016900
IUPAC Name:
7-methoxy-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3
InChI Key:
LOFRBHZYZCIOJO-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc2c1OCO2
EC Number:
227-304-8
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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