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116311-04-7 | Pentadecanedioic acid, 1-methyl ester
CAS No: 116311-04-7 Catalog No: AG000C67 MDL No:
Product Description
Catalog Number:
AG000C67
Chemical Name:
Pentadecanedioic acid, 1-methyl ester
CAS Number:
116311-04-7
Molecular Formula:
C16H29O4-
Molecular Weight:
285.3991
IUPAC Name:
15-methoxy-15-oxopentadecanoate
InChI:
InChI=1S/C16H30O4/c1-20-16(19)14-12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h2-14H2,1H3,(H,17,18)/p-1
InChI Key:
KWBXOAXXGSYUEH-UHFFFAOYSA-M
SMILES:
COC(=O)CCCCCCCCCCCCCC(=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.207g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.404g/mol
Monoisotopic Mass:
285.207g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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