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13153-14-5 | 2-Butenal, 2,3-dimethyl-
CAS No: 13153-14-5 Catalog No: AG000ZCV MDL No:
Product Description
Catalog Number:
AG000ZCV
Chemical Name:
2-Butenal, 2,3-dimethyl-
CAS Number:
13153-14-5
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
IUPAC Name:
2,3-dimethylbut-2-enal
InChI:
InChI=1S/C6H10O/c1-5(2)6(3)4-7/h4H,1-3H3
InChI Key:
XGSZRMLYTKMPFE-UHFFFAOYSA-N
SMILES:
O=CC(=C(C)C)C
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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