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885271-47-6 | 6,8-Dichlorochroman-3-carboxylic acid
CAS No: 885271-47-6 Catalog No: AG00473G MDL No:MFCD04114616
Product Description
Catalog Number:
AG00473G
Chemical Name:
6,8-Dichlorochroman-3-carboxylic acid
CAS Number:
885271-47-6
Molecular Formula:
C10H8Cl2O3
Molecular Weight:
247.0747
MDL Number:
MFCD04114616
IUPAC Name:
6,8-dichloro-3,4-dihydro-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C10H8Cl2O3/c11-7-2-5-1-6(10(13)14)4-15-9(5)8(12)3-7/h2-3,6H,1,4H2,(H,13,14)
InChI Key:
VKQVUBHOFAGVRV-UHFFFAOYSA-N
SMILES:
Clc1cc2CC(COc2c(c1)Cl)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.071g/mol
Monoisotopic Mass:
245.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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