200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 211107-45-8
211107-45-8 | 2,5-Cyclohexadien-1-one, 6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethyl-
CAS No: 211107-45-8 Catalog No: AG002L67 MDL No:
Product Description
Catalog Number:
AG002L67
Chemical Name:
2,5-Cyclohexadien-1-one, 6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethyl-
CAS Number:
211107-45-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C10H14O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4,11-12H,5H2,1-3H3
InChI Key:
RDTZVJXIFNPDIG-UHFFFAOYSA-N
SMILES:
OCC1=C(C)C(=O)C(=CC1(C)C)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.