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101186-14-5 | Butanedioic acid, (2-methylpropylidene)-, dimethyl ester, (2Z)- (9CI)
CAS No: 101186-14-5 Catalog No: AG0003X5 MDL No:
Product Description
Catalog Number:
AG0003X5
Chemical Name:
Butanedioic acid, (2-methylpropylidene)-, dimethyl ester, (2Z)- (9CI)
CAS Number:
101186-14-5
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
dimethyl 2-(2-methylpropylidene)butanedioate
InChI:
InChI=1S/C10H16O4/c1-7(2)5-8(10(12)14-4)6-9(11)13-3/h5,7H,6H2,1-4H3
InChI Key:
TYKICVMVIGSBRF-UHFFFAOYSA-N
SMILES:
COC(=O)C/C(=C/C(C)C)/C(=O)OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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