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2898-63-7

2898-63-7 | Benzeneacetic acid, 2-chloro-4,5-dimethoxy-

CAS No: 2898-63-7 Catalog No: AG002V2Y MDL No:

Product Description

Catalog Number:
AG002V2Y
Chemical Name:
Benzeneacetic acid, 2-chloro-4,5-dimethoxy-
CAS Number:
2898-63-7
Molecular Formula:
C10H11ClO4
Molecular Weight:
230.6449
IUPAC Name:
2-(2-chloro-4,5-dimethoxyphenyl)acetic acid
InChI:
InChI=1S/C10H11ClO4/c1-14-8-3-6(4-10(12)13)7(11)5-9(8)15-2/h3,5H,4H2,1-2H3,(H,12,13)
InChI Key:
WKPCQKQQARFCBD-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)O)c(cc1OC)Cl
NSC Number:
129821

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.644g/mol
Monoisotopic Mass:
230.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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