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10481-25-1 | 6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid
CAS No: 10481-25-1 Catalog No: AG003A4Y MDL No:MFCD13195611
Product Description
Catalog Number:
AG003A4Y
Chemical Name:
6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid
CAS Number:
10481-25-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
MDL Number:
MFCD13195611
IUPAC Name:
2-methoxycarbonylspiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C10H14O4/c1-14-9(13)7-4-10(5-7)2-6(3-10)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChI Key:
NNVZYAFUSDVQII-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2(C1)CC(C2)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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