200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100644-89-1
100644-89-1 | Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester
CAS No: 100644-89-1 Catalog No: AG0002K5 MDL No:
Product Description
Catalog Number:
AG0002K5
Chemical Name:
Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester
CAS Number:
100644-89-1
Molecular Formula:
C16H14O6
Molecular Weight:
302.2788
IUPAC Name:
(4-formyl-2-methoxyphenyl) 4-hydroxy-3-methoxybenzoate
InChI:
InChI=1S/C16H14O6/c1-20-14-8-11(4-5-12(14)18)16(19)22-13-6-3-10(9-17)7-15(13)21-2/h3-9,18H,1-2H3
InChI Key:
NJJAAEQSAYYXBL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC)OC(=O)c1ccc(c(c1)OC)O
UNII:
4ECR7902HK
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.282g/mol
Monoisotopic Mass:
302.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.