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2100-19-8

2100-19-8 | 4-Hexenal

CAS No: 2100-19-8 Catalog No: AG002KJG MDL No:

Product Description

Catalog Number:
AG002KJG
Chemical Name:
4-Hexenal
CAS Number:
2100-19-8
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
IUPAC Name:
hex-4-enal
InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3
InChI Key:
DPCMFIRORYQTCL-UHFFFAOYSA-N
SMILES:
O=CCCC=CC

Properties

Complexity:
64.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1  

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