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13058-13-4 | 2-Propenoic acid, 3-(2,3,4-trihydroxyphenyl)-
CAS No: 13058-13-4 Catalog No: AG000UO5 MDL No:MFCD03002815
Product Description
Catalog Number:
AG000UO5
Chemical Name:
2-Propenoic acid, 3-(2,3,4-trihydroxyphenyl)-
CAS Number:
13058-13-4
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD03002815
IUPAC Name:
(E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H8O5/c10-6-3-1-5(2-4-7(11)12)8(13)9(6)14/h1-4,10,13-14H,(H,11,12)/b4-2+
InChI Key:
RHGWNBSOWGUGPA-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc(c(c1O)O)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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