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19269-28-4 | Hexanal, 3-methyl-
CAS No: 19269-28-4 Catalog No: AG002G7S MDL No:
Product Description
Catalog Number:
AG002G7S
Chemical Name:
Hexanal, 3-methyl-
CAS Number:
19269-28-4
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
3-methylhexanal
InChI:
InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3
InChI Key:
ZSJUABCTGCNBPF-UHFFFAOYSA-N
SMILES:
CCCC(CC=O)C
EC Number:
606-279-0
FEMA Number:
4261
Properties
Complexity:
59.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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