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120016-72-0 | 2-Dodecenoic acid, 11-(acetyloxy)-4-oxo-, ethyl ester, (2E)-
CAS No: 120016-72-0 Catalog No: AG000Q3B MDL No:
Product Description
Catalog Number:
AG000Q3B
Chemical Name:
2-Dodecenoic acid, 11-(acetyloxy)-4-oxo-, ethyl ester, (2E)-
CAS Number:
120016-72-0
Molecular Formula:
C16H26O5
Molecular Weight:
298.3746
IUPAC Name:
ethyl 11-acetyloxy-4-oxododec-2-enoate
InChI:
InChI=1S/C16H26O5/c1-4-20-16(19)12-11-15(18)10-8-6-5-7-9-13(2)21-14(3)17/h11-13H,4-10H2,1-3H3
InChI Key:
SJCHUEUADAJBPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/C(=O)CCCCCCC(OC(=O)C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.379g/mol
Monoisotopic Mass:
298.178g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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