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129215-04-9 | Butanedioic acid, 2-(octadecen-1-yl)-, monomethyl ester
CAS No: 129215-04-9 Catalog No: AG000YZ6 MDL No:
Product Description
Catalog Number:
AG000YZ6
Chemical Name:
Butanedioic acid, 2-(octadecen-1-yl)-, monomethyl ester
CAS Number:
129215-04-9
Molecular Formula:
C23H41O4-
Molecular Weight:
381.5692
IUPAC Name:
3-methoxycarbonylhenicos-4-enoate
InChI:
InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(24)25)23(26)27-2/h18-19,21H,3-17,20H2,1-2H3,(H,24,25)/p-1
InChI Key:
ZXGUDEHDPQJPLA-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCC=CC(C(=O)OC)CC(=O)[O-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.3g/mol
Formal Charge:
-1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.577g/mol
Monoisotopic Mass:
381.3g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
9.3
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