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1740-84-7 | 1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, (1R,2R)-rel-
CAS No: 1740-84-7 Catalog No: AG001ZE1 MDL No:
Product Description
Catalog Number:
AG001ZE1
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, (1R,2R)-rel-
CAS Number:
1740-84-7
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
(1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
InChI:
InChI=1S/C7H10O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
InChI Key:
MSPJNHHBNOLHOC-QWWZWVQMSA-N
SMILES:
OC(=O)[C@@H]1[C@H](C1(C)C)C(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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