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141073-86-1 | 2,3,6-Heptanetriol, 2-methyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (6S)-
CAS No: 141073-86-1 Catalog No: AG001FTS MDL No:
Product Description
Catalog Number:
AG001FTS
Chemical Name:
2,3,6-Heptanetriol, 2-methyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (6S)-
CAS Number:
141073-86-1
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
IUPAC Name:
2-methyl-6-(4-methylcyclohex-3-en-1-yl)heptane-2,3,6-triol
InChI:
InChI=1S/C15H28O3/c1-11-5-7-12(8-6-11)15(4,18)10-9-13(16)14(2,3)17/h5,12-13,16-18H,6-10H2,1-4H3
InChI Key:
VJRDDDSFQNYGBK-UHFFFAOYSA-N
SMILES:
CC1=CC[C@H](CC1)[C@](CCC(C(O)(C)C)O)(O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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