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188525-84-0 | 1,3-Dioxole-4-carboxylic acid, 5-(1-methylethyl)-2-oxo-
CAS No: 188525-84-0 Catalog No: AG002GYA MDL No:
Product Description
Catalog Number:
AG002GYA
Chemical Name:
1,3-Dioxole-4-carboxylic acid, 5-(1-methylethyl)-2-oxo-
CAS Number:
188525-84-0
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
IUPAC Name:
2-oxo-5-propan-2-yl-1,3-dioxole-4-carboxylic acid
InChI:
InChI=1S/C7H8O5/c1-3(2)4-5(6(8)9)12-7(10)11-4/h3H,1-2H3,(H,8,9)
InChI Key:
GBOTXQHVKOUJFL-UHFFFAOYSA-N
SMILES:
O=c1oc(c(o1)C(C)C)C(=O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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