Home Other Building Blocks 2-(3-methoxyphenyl)propanedioic acid

2-(3-methoxyphenyl)propanedioic acid

CAS No.:
855658-53-6
Catalog Number:
AG01BV36
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
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Product Description
Catalog Number:
AG01BV36
Chemical Name:
2-(3-methoxyphenyl)propanedioic acid
CAS Number:
855658-53-6
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD19316669
IUPAC Name:
2-(3-methoxyphenyl)propanedioic acid
InChI:
InChI=1S/C10H10O5/c1-15-7-4-2-3-6(5-7)8(9(11)12)10(13)14/h2-5,8H,1H3,(H,11,12)(H,13,14)
InChI Key:
HGBGAUXIRCRRLR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(C(=O)O)C(=O)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties