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Home > Other Heterocycles > 1515966-54-7
1515966-54-7 | 3-{bicyclo[3.1.0]hexan-3-yl}prop-2-ynoic acid
CAS No: 1515966-54-7 Catalog No: AG00KJZO MDL No:MFCD23908383
Product Description
Catalog Number:
AG00KJZO
Chemical Name:
3-{bicyclo[3.1.0]hexan-3-yl}prop-2-ynoic acid
CAS Number:
1515966-54-7
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD23908383
IUPAC Name:
3-(3-bicyclo[3.1.0]hexanyl)prop-2-ynoic acid
InChI:
InChI=1S/C9H10O2/c10-9(11)2-1-6-3-7-5-8(7)4-6/h6-8H,3-5H2,(H,10,11)
InChI Key:
HXBDYJGLGZYJIU-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC1CC2C(C1)C2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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