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188647-29-2 | 2-Pentenal, 2,4-dimethyl-, (2Z)-
CAS No: 188647-29-2 Catalog No: AG002H34 MDL No:
Product Description
Catalog Number:
AG002H34
Chemical Name:
2-Pentenal, 2,4-dimethyl-, (2Z)-
CAS Number:
188647-29-2
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
2,4-dimethylpent-2-enal
InChI:
InChI=1S/C7H12O/c1-6(2)4-7(3)5-8/h4-6H,1-3H3
InChI Key:
SXMYOGGQDRXLAN-UHFFFAOYSA-N
SMILES:
O=C/C(=C\C(C)C)/C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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