200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 18680-27-8
18680-27-8 | (1S,2S,3R,5S)-(+)-2,3-Pinanediol
CAS No: 18680-27-8 Catalog No: AG0037NG MDL No:MFCD00077851
Product Description
Catalog Number:
AG0037NG
Chemical Name:
(1S,2S,3R,5S)-(+)-2,3-Pinanediol
CAS Number:
18680-27-8
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00077851
IUPAC Name:
(1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
InChI:
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
InChI Key:
MOILFCKRQFQVFS-OORONAJNSA-N
SMILES:
O[C@@H]1C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C
EC Number:
606-096-6
UNII:
Y6ZCV4AVRA
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
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:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.