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87590-99-6 | Cyclopropaneoctanoicacid, 2-(7-methyloctyl)-, cis- (9CI)
CAS No: 87590-99-6 Catalog No: AG004M4J MDL No:
Product Description
Catalog Number:
AG004M4J
Chemical Name:
Cyclopropaneoctanoicacid, 2-(7-methyloctyl)-, cis- (9CI)
CAS Number:
87590-99-6
Molecular Formula:
C20H38O2
Molecular Weight:
310.5145
IUPAC Name:
8-[(1R,2S)-2-(7-methyloctyl)cyclopropyl]octanoic acid
InChI:
InChI=1S/C20H38O2/c1-17(2)12-8-6-7-10-14-19-16-18(19)13-9-4-3-5-11-15-20(21)22/h17-19H,3-16H2,1-2H3,(H,21,22)/t18-,19+/m1/s1
InChI Key:
OTPRKBAXVUXMAB-MOPGFXCFSA-N
SMILES:
CC(CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
310.287g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.522g/mol
Monoisotopic Mass:
310.287g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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