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18778-96-6 | 2-Butenal, 4,4-dimethoxy-
CAS No: 18778-96-6 Catalog No: AG002GHA MDL No:
Product Description
Catalog Number:
AG002GHA
Chemical Name:
2-Butenal, 4,4-dimethoxy-
CAS Number:
18778-96-6
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
4,4-dimethoxybut-2-enal
InChI:
InChI=1S/C6H10O3/c1-8-6(9-2)4-3-5-7/h3-6H,1-2H3
InChI Key:
OJFHAFJGQZSFKT-UHFFFAOYSA-N
SMILES:
COC(C=CC=O)OC
Properties
Complexity:
94.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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