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175221-16-6 | Cyclopropaneacetic acid, 2-(methoxycarbonyl)-, trans- (9CI)
CAS No: 175221-16-6 Catalog No: AG0020QA MDL No:
Product Description
Catalog Number:
AG0020QA
Chemical Name:
Cyclopropaneacetic acid, 2-(methoxycarbonyl)-, trans- (9CI)
CAS Number:
175221-16-6
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
2-[(1S,2R)-2-methoxycarbonylcyclopropyl]acetic acid
InChI:
InChI=1S/C7H10O4/c1-11-7(10)5-2-4(5)3-6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChI Key:
FPGQQCQCZAQBBJ-CRCLSJGQSA-N
SMILES:
COC(=O)[C@@H]1C[C@H]1CC(=O)O
Properties
Complexity:
187
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:
1
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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