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123620-81-5 | Cyclopropanecarboxylicacid, 3-formyl-2,2-dimethyl-, cis- (9CI)
CAS No: 123620-81-5 Catalog No: AG000KVJ MDL No:
Product Description
Catalog Number:
AG000KVJ
Chemical Name:
Cyclopropanecarboxylicacid, 3-formyl-2,2-dimethyl-, cis- (9CI)
CAS Number:
123620-81-5
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
(1S,3R)-3-formyl-2,2-dimethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c1-7(2)4(3-8)5(7)6(9)10/h3-5H,1-2H3,(H,9,10)/t4-,5-/m1/s1
InChI Key:
PTQGFDXPHNRDCV-RFZPGFLSSA-N
SMILES:
O=C[C@@H]1[C@@H](C1(C)C)C(=O)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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