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79347-69-6 | 3-Furancarbonylchloride, 5-(hydroxymethyl)-2-methyl-
CAS No: 79347-69-6 Catalog No: AG005KAI MDL No:
Product Description
Catalog Number:
AG005KAI
Chemical Name:
3-Furancarbonylchloride, 5-(hydroxymethyl)-2-methyl-
CAS Number:
79347-69-6
Molecular Formula:
C7H7ClO3
Molecular Weight:
174.5817
IUPAC Name:
5-(hydroxymethyl)-2-methylfuran-3-carbonyl chloride
InChI:
InChI=1S/C7H7ClO3/c1-4-6(7(8)10)2-5(3-9)11-4/h2,9H,3H2,1H3
InChI Key:
NNQCOTUPYDSVNX-UHFFFAOYSA-N
SMILES:
OCc1oc(c(c1)C(=O)Cl)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.008g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.58g/mol
Monoisotopic Mass:
174.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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