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18951-85-4 | 6-Octenoic acid, 3,7-dimethyl-, (3R)-
CAS No: 18951-85-4 Catalog No: AG002DQE MDL No:
Product Description
Catalog Number:
AG002DQE
Chemical Name:
6-Octenoic acid, 3,7-dimethyl-, (3R)-
CAS Number:
18951-85-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
(3R)-3,7-dimethyloct-6-enoic acid
InChI:
InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m1/s1
InChI Key:
GJWSUKYXUMVMGX-SECBINFHSA-N
SMILES:
C[C@@H](CC(=O)O)CCC=C(C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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