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53398-83-7 | TRANS-2-HEXENYL BUTYRATE
CAS No: 53398-83-7 Catalog No: AG003UWG MDL No:MFCD00036546
Product Description
Catalog Number:
AG003UWG
Chemical Name:
TRANS-2-HEXENYL BUTYRATE
CAS Number:
53398-83-7
MDL Number:
MFCD00036546
IUPAC Name:
[(E)-hex-2-enyl] butanoate
InChI:
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChI Key:
PCGACKLJNBBQGM-VOTSOKGWSA-N
EC Number:
258-515-3
UNII:
Z60BMY964J
FEMA Number:
3926
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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