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7460-87-9 | BUTYL 2-OXOCHROMENE-3-CARBOXYLATE
CAS No: 7460-87-9 Catalog No: AG005J45 MDL No:
Product Description
Catalog Number:
AG005J45
Chemical Name:
BUTYL 2-OXOCHROMENE-3-CARBOXYLATE
CAS Number:
7460-87-9
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
butyl 2-oxochromene-3-carboxylate
InChI:
InChI=1S/C14H14O4/c1-2-3-8-17-13(15)11-9-10-6-4-5-7-12(10)18-14(11)16/h4-7,9H,2-3,8H2,1H3
InChI Key:
DNSDRVXHFSEQRO-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1cc2ccccc2oc1=O
UNII:
H6ZG79VP13
NSC Number:
404236
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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