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42347-74-0 | 2-ETHYL-3-METHYLVALERALDEHYDE
CAS No: 42347-74-0 Catalog No: AG0072PK MDL No:
Product Description
Catalog Number:
AG0072PK
Chemical Name:
2-ETHYL-3-METHYLVALERALDEHYDE
CAS Number:
42347-74-0
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
2-ethyl-3-methylpentanal
InChI:
InChI=1S/C8H16O/c1-4-7(3)8(5-2)6-9/h6-8H,4-5H2,1-3H3
InChI Key:
FBQWJRWQCDONFI-UHFFFAOYSA-N
SMILES:
CCC(C(CC)C)C=O
EC Number:
255-766-0
Properties
Complexity:
78.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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