200,000+ products from a single source!
sales@angenechem.com
100201-57-8 | Benzenepropanoic acid, α,β,4-trihydroxy-
CAS No: 100201-57-8 Catalog No: AG00018Y MDL No:MFCD19440994
Product Description
Catalog Number:
AG00018Y
Chemical Name:
Benzenepropanoic acid, α,β,4-trihydroxy-
CAS Number:
100201-57-8
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
MDL Number:
MFCD19440994
IUPAC Name:
2,3-dihydroxy-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H10O5/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,10-12H,(H,13,14)
InChI Key:
LERAXVLCHXAZGX-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1ccc(cc1)O)O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
198.174g/mol
Monoisotopic Mass:
198.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.