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5-Hexenal

CAS No.:
764-59-0
Catalog Number:
AG0036P1
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
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Product Description
Catalog Number:
AG0036P1
Chemical Name:
5-Hexenal
CAS Number:
764-59-0
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD12024934
IUPAC Name:
hex-5-enal
InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2
InChI Key:
USLRUYZDOLMIRJ-UHFFFAOYSA-N
SMILES:
C=CCCCC=O
EC Number:
212-127-0
Properties
Complexity:
57.2  
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
The enantiospecific synthesis of (+)-monomorine I using a 5-endo-trig cyclisation strategy. Beilstein journal of organic chemistry 20070101
Total synthesis of woodrosin I--part 1: preparation of the building blocks and evaluation of the glycosylation strategy. Chemistry (Weinheim an der Bergstrasse, Germany) 20030103
Properties