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101592-14-7 | Hexadecanedioic acid, 3-methyl-
CAS No: 101592-14-7 Catalog No: AG0004X9 MDL No:
Product Description
Catalog Number:
AG0004X9
Chemical Name:
Hexadecanedioic acid, 3-methyl-
CAS Number:
101592-14-7
Molecular Formula:
C17H32O4
Molecular Weight:
300.4336
IUPAC Name:
3-methylhexadecanedioic acid
InChI:
InChI=1S/C17H32O4/c1-15(14-17(20)21)12-10-8-6-4-2-3-5-7-9-11-13-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
InChI Key:
RMCPRRDMUKXQID-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCCC(CC(=O)O)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.23g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.439g/mol
Monoisotopic Mass:
300.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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