200,000+ products from a single source!
sales@angenechem.com
114818-66-5 | 3,5-Cyclohexadiene-1,2-diol, 3-methyl-, 1,2-diacetate, (1S,2R)-
CAS No: 114818-66-5 Catalog No: AG000FBA MDL No:
Product Description
Catalog Number:
AG000FBA
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, 3-methyl-, 1,2-diacetate, (1S,2R)-
CAS Number:
114818-66-5
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
acetic acid;3-methylcyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C7H10O2.2C2H4O2/c1-5-3-2-4-6(8)7(5)9;2*1-2(3)4/h2-4,6-9H,1H3;2*1H3,(H,3,4)
InChI Key:
XFEWSQHWUDHVPJ-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1[C@H](C=CC=C1C)OC(=O)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.259g/mol
Monoisotopic Mass:
246.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.