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72849-42-4 | Heptadecanedioic acid, monomethyl ester
CAS No: 72849-42-4 Catalog No: AG005E86 MDL No:
Product Description
Catalog Number:
AG005E86
Chemical Name:
Heptadecanedioic acid, monomethyl ester
CAS Number:
72849-42-4
Molecular Formula:
C18H33O4-
Molecular Weight:
313.4522
IUPAC Name:
17-methoxy-17-oxoheptadecanoate
InChI:
InChI=1S/C18H34O4/c1-22-18(21)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(19)20/h2-16H2,1H3,(H,19,20)/p-1
InChI Key:
ACZRHOXYVXBTNB-UHFFFAOYSA-M
SMILES:
COC(=O)CCCCCCCCCCCCCCCC(=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.238g/mol
Formal Charge:
-1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.458g/mol
Monoisotopic Mass:
313.238g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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