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Home > Other Heterocycles > 1514366-25-6
1514366-25-6 | METHYL 3-(BICYCLO[3.1.0]HEXAN-3-YL)PROP-2-YNOATE
CAS No: 1514366-25-6 Catalog No: AG01DRGC MDL No:MFCD23908382
Product Description
Catalog Number:
AG01DRGC
Chemical Name:
METHYL 3-(BICYCLO[3.1.0]HEXAN-3-YL)PROP-2-YNOATE
CAS Number:
1514366-25-6
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD23908382
IUPAC Name:
methyl 3-(3-bicyclo[3.1.0]hexanyl)prop-2-ynoate
InChI:
InChI=1S/C10H12O2/c1-12-10(11)3-2-7-4-8-6-9(8)5-7/h7-9H,4-6H2,1H3
InChI Key:
XQXAZYGYGSUZNX-UHFFFAOYSA-N
SMILES:
COC(=O)C#CC1CC2C(C1)C2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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