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100145-14-0 | 1,2-Cyclopropanediacetic acid, 3,3-dimethyl-
CAS No: 100145-14-0 Catalog No: AG00013H MDL No:
Product Description
Catalog Number:
AG00013H
Chemical Name:
1,2-Cyclopropanediacetic acid, 3,3-dimethyl-
CAS Number:
100145-14-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
2-[3-(carboxymethyl)-2,2-dimethylcyclopropyl]acetic acid
InChI:
InChI=1S/C9H14O4/c1-9(2)5(3-7(10)11)6(9)4-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChI Key:
SHAQRECSQXZUMW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1C(C1(C)C)CC(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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