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29582-27-2 | 2-Pentenal, 3-chloro-4,4-dimethyl-, (2Z)-
CAS No: 29582-27-2 Catalog No: AG002YU8 MDL No:
Product Description
Catalog Number:
AG002YU8
Chemical Name:
2-Pentenal, 3-chloro-4,4-dimethyl-, (2Z)-
CAS Number:
29582-27-2
Molecular Formula:
C7H11ClO
Molecular Weight:
146.6146
IUPAC Name:
3-chloro-4,4-dimethylpent-2-enal
InChI:
InChI=1S/C7H11ClO/c1-7(2,3)6(8)4-5-9/h4-5H,1-3H3
InChI Key:
LXWLESXAZLVXBF-UHFFFAOYSA-N
SMILES:
O=C/C=C(/C(C)(C)C)\Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.614g/mol
Monoisotopic Mass:
146.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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