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167113-73-7 | 1,2-Cyclopropanedicarboxylic acid, 1-ethyl ester
CAS No: 167113-73-7 Catalog No: AG001X4Z MDL No:
Product Description
Catalog Number:
AG001X4Z
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 1-ethyl ester
CAS Number:
167113-73-7
Molecular Formula:
C7H9O4-
Molecular Weight:
157.1440
IUPAC Name:
2-ethoxycarbonylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChI Key:
BRVQFDJETHFEQY-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC1C(=O)OCC
NSC Number:
249244
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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