200,000+ products from a single source!
sales@angenechem.com
176487-06-2 | 1,3-Cyclohexadiene-1-carboxylic acid, 5,6-dihydroxy-, (5S,6S)-
CAS No: 176487-06-2 Catalog No: AG0024PE MDL No:
Product Description
Catalog Number:
AG0024PE
Chemical Name:
1,3-Cyclohexadiene-1-carboxylic acid, 5,6-dihydroxy-, (5S,6S)-
CAS Number:
176487-06-2
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
InChI:
InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m0/s1
InChI Key:
INCSWYKICIYAHB-WDSKDSINSA-N
SMILES:
O[C@H]1C=CC=C([C@@H]1O)C(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| (S,S)-2,3-Dihydroxy-2,3-dihydrobenzoic acid: microbial access with engineered cells of Escherichia coli and application as starting material in natural-product synthesis. | Chemistry (Weinheim an der Bergstrasse, Germany) 20030905 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.