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Home > Nitro Compounds > 7515-14-2
7515-14-2 | Methyl 3-(2-nitrophenyl)-2-propynoate
CAS No: 7515-14-2 Catalog No: AG00JAKR MDL No:MFCD08848194
Product Description
Catalog Number:
AG00JAKR
Chemical Name:
Methyl 3-(2-nitrophenyl)-2-propynoate
CAS Number:
7515-14-2
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
MDL Number:
MFCD08848194
IUPAC Name:
methyl 3-(2-nitrophenyl)prop-2-ynoate
InChI:
InChI=1S/C10H7NO4/c1-15-10(12)7-6-8-4-2-3-5-9(8)11(13)14/h2-5H,1H3
InChI Key:
DEGVLGPQKILSPB-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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