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87498-72-4 | 2-chlorooxirane-2-carboxylic acid
CAS No: 87498-72-4 Catalog No: AG004I1A MDL No:
Product Description
Catalog Number:
AG004I1A
Chemical Name:
2-chlorooxirane-2-carboxylic acid
CAS Number:
87498-72-4
Molecular Formula:
C3H3ClO3
Molecular Weight:
122.5071
IUPAC Name:
2-chlorooxirane-2-carboxylic acid
InChI:
InChI=1S/C3H3ClO3/c4-3(1-7-3)2(5)6/h1H2,(H,5,6)
InChI Key:
BYZSDTOWLOWXIX-UHFFFAOYSA-N
SMILES:
OC(=O)C1(Cl)CO1
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.977g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.504g/mol
Monoisotopic Mass:
121.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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