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10203-77-7 | Pentanal, 3-methyl-2-methylene-, (3S)-
CAS No: 10203-77-7 Catalog No: AG0006ET MDL No:
Product Description
Catalog Number:
AG0006ET
Chemical Name:
Pentanal, 3-methyl-2-methylene-, (3S)-
CAS Number:
10203-77-7
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
(3S)-3-methyl-2-methylidenepentanal
InChI:
InChI=1S/C7H12O/c1-4-6(2)7(3)5-8/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChI Key:
CQZLNEAXRRETST-LURJTMIESA-N
SMILES:
C[C@H](C(=C)C=O)CC
Properties
Complexity:
94.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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