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62936-23-6 | 3-Chloro-4-hydroxy-5-methoxybenzoic acid
CAS No: 62936-23-6 Catalog No: AG003MP6 MDL No:MFCD00016531
Product Description
Catalog Number:
AG003MP6
Chemical Name:
3-Chloro-4-hydroxy-5-methoxybenzoic acid
CAS Number:
62936-23-6
Molecular Formula:
C8H7ClO4
Molecular Weight:
202.5918
MDL Number:
MFCD00016531
IUPAC Name:
3-chloro-4-hydroxy-5-methoxybenzoic acid
InChI:
InChI=1S/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
XBRYEHVBBMSSCG-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)Cl)C(=O)O
EC Number:
263-766-7
NSC Number:
45930
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.59g/mol
Monoisotopic Mass:
202.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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