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244793-40-6 | Cyclopropanecarboxylic acid, 2-formyl-2-(1-methylethyl)-
CAS No: 244793-40-6 Catalog No: AG002O9S MDL No:
Product Description
Catalog Number:
AG002O9S
Chemical Name:
Cyclopropanecarboxylic acid, 2-formyl-2-(1-methylethyl)-
CAS Number:
244793-40-6
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
2-formyl-2-propan-2-ylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C8H12O3/c1-5(2)8(4-9)3-6(8)7(10)11/h4-6H,3H2,1-2H3,(H,10,11)
InChI Key:
ZRPOGGZJDNXJIC-UHFFFAOYSA-N
SMILES:
O=CC1(CC1C(=O)O)C(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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