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244793-47-3 | Cyclopropaneacetic acid, 2-formyl-1-(1-methylethyl)-
CAS No: 244793-47-3 Catalog No: AG002O9Q MDL No:
Product Description
Catalog Number:
AG002O9Q
Chemical Name:
Cyclopropaneacetic acid, 2-formyl-1-(1-methylethyl)-
CAS Number:
244793-47-3
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
2-(2-formyl-1-propan-2-ylcyclopropyl)acetic acid
InChI:
InChI=1S/C9H14O3/c1-6(2)9(4-8(11)12)3-7(9)5-10/h5-7H,3-4H2,1-2H3,(H,11,12)
InChI Key:
NGWILLBIMUHJLN-UHFFFAOYSA-N
SMILES:
O=CC1CC1(CC(=O)O)C(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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