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159346-72-2 | 2-Oxiranecarboxylic acid, 3-propyl-
CAS No: 159346-72-2 Catalog No: AG001QMI MDL No:
Product Description
Catalog Number:
AG001QMI
Chemical Name:
2-Oxiranecarboxylic acid, 3-propyl-
CAS Number:
159346-72-2
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
3-propyloxirane-2-carboxylic acid
InChI:
InChI=1S/C6H10O3/c1-2-3-4-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChI Key:
ZUXGVGARWYYZKY-UHFFFAOYSA-N
SMILES:
CCCC1OC1C(=O)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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